SCHEMBL48803

SCHEMBL48803

CCOC(=O)C(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 13/20 0.75
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2B6 P20813 2/20 0.68
HRH1 P35367 4/20 0.55
LMNA P02545 2/20 0.55
DRD3 P35462 2/20 0.55
KCNH2 Q12809 2/20 0.55
CNR1 P21554 1/20 0.55
APEX1 P27695 1/20 0.55
PDE4A P27815 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2B P41595 1/20 0.55
BLM P54132 1/20 0.55
PDE3A Q14432 1/20 0.55
DRD2 P14416 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2235075 0.99 CYP2J2 (0.74) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2265221 0.90 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL2985989 0.90 CYP2J2 (0.76) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL1395734 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL13525525 0.87 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.87 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL3681404 0.87 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11376047 0.87 CYP2J2 (0.58) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765451 0.86 CYP2J2 (0.81) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11826925 0.86 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045722-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HENTON DANIEL R (US) 2003-03-06 US claimed
US-20020193600-A1 Process for preparing anyhdrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HENTON DANIEL R (US) 2002-12-19 US claimed
US-20020193603-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof AVENTISUB II INC. 2002-12-19 US claimed
US-20020193601-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof AVENTISUB II INC. 2002-12-19 US claimed
EP-1178041-A1 Process for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives Aventis Pharmaceuticals Inc. (US) 2002-02-06 EP claimed
US-20010025106-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HENTON DANIEL R (US) 2001-09-27 US claimed
US-20010014741-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HENTON DANIEL R (US) 2001-08-16 US claimed
US-20010012896-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HENTON DANIEL R (US) 2001-08-09 US claimed
EP-0766668-A1 PROCESSES FOR PREPARING ANHYDROUS AND HYDRATE FORMS OF ANTIHISTAMINIC PIPERIDINE DERIVATIVES, POLYMORPHS AND PSEUDORMOPHS THEREOF HOECHST MARION ROUSSEL, INC. (US) 1997-04-09 EP claimed
WO-1995031437-A1 PROCESSES FOR PREPARING ANHYDROUS AND HYDRATE FORMS OF ANTIHISTAMINIC PIPERIDINE DERIVATIVES, POLYMORPHS AND PSEUDORMOPHS THEREOF HOECHST MARRION ROUSSEL, INC. (US) 1995-11-23 WO claimed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 US claimed
US-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2020-06-30 US disclosed
EP-3365327-B1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI AVENTIS DEUTSCHLAND (DE) 2019-11-20 EP disclosed
US-20180297951-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2018-10-18 US disclosed
EP-3365327-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN Sanofi-Aventis Deutschland GmbH (DE) 2018-08-29 EP disclosed
WO-1995031437-A1 PROCESSES FOR PREPARING ANHYDROUS AND HYDRATE FORMS OF ANTIHISTAMINIC PIPERIDINE DERIVATIVES, POLYMORPHS AND PSEUDORMOPHS THEREOF HOECHST MARRION ROUSSEL, INC. (US) 1995-11-23 WO disclosed
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020193603-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 270/4885CYP3A4 57/4885CYP2C9 135/4885
US-20030045722-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 270/4885CYP3A4 57/4885CYP2C9 135/4885
US-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein CYP4F2, CYP4F3, NISCH CYP2J2 186/4885CYP3A4 15/4885CYP2C9 16/4885
US-20010012896-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 150/4885CYP3A4 61/4885CYP2C9 146/4885
US-20020193600-A1 Process for preparing anyhdrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 531/4885CYP3A4 82/4885CYP2C9 160/4885
US-20010025106-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 270/4885CYP3A4 57/4885CYP2C9 135/4885
US-20010014741-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 270/4885CYP3A4 57/4885CYP2C9 135/4885
US-20180297951-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN CYP4F2, CYP4F3, NISCH CYP2J2 186/4885CYP3A4 15/4885CYP2C9 16/4885
US-20020193601-A1 Processes for preparing anhydrous and hydrate forms of antihistaminic piperidine derivatives, polymorphs and pseudomorphs thereof HRH1, HRH2, HRH4 CYP2J2 270/4885CYP3A4 57/4885CYP2C9 135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.