Sugi Predict

Sugi Predict / Compounds / SCHEMBL2265221

SCHEMBL2265221

SCHEMBL2265221

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

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.78
▸ CYP3A4 P08684 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ CYP2B6 P20813 2/20 0.68
▸ HRH1 P35367 4/20 0.60
▸ LMNA P02545 2/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ PDE4A P27815 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ DRD2 P14416 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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 SCHEMBL2985989 0.99 CYP2J2 (0.76) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL6826935 0.92 LMNA (0.71) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2456116 0.92 CYP2J2 (0.73) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL14622763 0.90 CYP2J2 (0.67) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL48803 0.90 CYP2J2 (0.75) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL1395734 0.90 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL2235075 0.90 CYP2J2 (0.74) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL2994361 0.90 CYP2J2 (0.66) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.89 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL13525525 0.89 CYP2J2 (0.82) 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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539131-A Preparation method of fexofenadine hydrochloride 西安万隆制药股份有限公司 2022-05-27 — — CN claimed
CN-112661693-A Preparation method of fexofenadine 西北农林科技大学 2021-04-16 — — CN claimed
CN-106380441-B Synthetic method of fexofenadine intermediate 上海雅本化学有限公司 2020-08-14 — — CN claimed
US-8476445-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2013-07-02 — — US claimed
US-8022220-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2011-09-20 — — US claimed
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 — — US claimed
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-01-14 — — US claimed
EP-0815860-A2 Terfenadine carboxylate and the treatment of allergic disorders SEPRACOR, INC. (US) 1998-01-07 — — EP claimed
CN-114539131-A Preparation method of fexofenadine hydrochloride 西安万隆制药股份有限公司 2022-05-27 — — CN disclosed
CN-114539131-A Preparation method of fexofenadine hydrochloride 西安万隆制药股份有限公司 2022-05-27 — — CN disclosed
CN-112661693-A Preparation method of fexofenadine 西北农林科技大学 2021-04-16 — — CN disclosed
CN-106380441-B Synthetic method of fexofenadine intermediate 上海雅本化学有限公司 2020-08-14 — — CN disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 — — US disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 — — WO disclosed
WO-1995000482-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1995-01-05 — — WO disclosed
US-5375693-A Methods and compositions for treating allergic disorders and other disorders metabolic derivatives of terfenadine SEPRACOR, INC. (US) 1994-12-27 — — US disclosed
WO-1994003170-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC. (US) 1994-02-17 — — WO disclosed
US-4285958-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

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

For each of this compound's patents that has machine-readable text (3 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-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HPD, PTMA, HAAO CYP2J2 711/4885CYP3A4 22/4885CYP2C9 488/4885
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES DDC, HPD, ALDH7A1 CYP2J2 1318/4885CYP3A4 54/4885CYP2C9 511/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO CYP2J2 2123/4885CYP3A4 2777/4885CYP2C9 1884/4885

“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.