SCHEMBL3949330

SCHEMBL3949330

CC(C)C(=O)O.O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.78
▸ CYP3A4 P08684 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ CYP2B6 P20813 2/20 0.72
▸ HRH1 P35367 4/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ LMNA P02545 1/20 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
▸ DRD3 P35462 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PDE3A Q14432 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
SCHEMBL5311000 0.94 CYP2J2 (0.90) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11798280 0.93 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11541690 0.92 CYP2J2 (0.83) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11384917 0.91 CYP2J2 (0.66) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11857495 0.90 CYP2J2 (0.79) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL17023758 0.89 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Water SCHEMBL6325014 0.89 CYP2J2 (0.74) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11857642 0.89 CYP2J2 (0.77) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11863146 0.89 CYP2J2 (0.77) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11830971 0.88 CYP2J2 (0.94) CYP2J2CYP3A4CYP2C9CYP2B6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034582-A2 PROCESS FOR THE PREPARATION OF AMORPHOUS FEXOFENADINE HYDROCHLORIDE IND-SWIFT LABORATORIES LIMITED (IN) 2009-03-19 — — WO disclosed
US-20070106078-A1 Process for the preparation of fexofenadine RANBAXY LABORATORIES LIMITED (IN) 2007-05-10 — — US disclosed
EP-1592662-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE Ranbaxy Laboratories Limited (IN) 2005-11-09 — — EP disclosed
WO-2004067511-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 — — WO disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — 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 (1 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-20070106078-A1 Process for the preparation of fexofenadine HRH2, HRH1, CYP2F1 CYP2J2 146/4885CYP3A4 20/4885CYP2C9 13/4885

“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.

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