SCHEMBL2763481

SCHEMBL2763481

O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.75
▸ CYP3A4 P08684 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ CYP2B6 P20813 2/20 0.70
▸ KCNH2 Q12809 3/20 0.58
▸ HRH1 P35367 3/20 0.58
▸ LMNA P02545 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ CNR1 P21554 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ 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
SCHEMBL17023758 0.89 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL11798280 0.89 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
Water SCHEMBL6325014 0.89 CYP2J2 (0.74) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL6720575 0.88 CYP2J2 (0.59) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
Hydrochloric Acid SCHEMBL11541690 0.88 CYP2J2 (0.83) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL6720572 0.87 CYP2J2 (0.58) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL3949330 0.87 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL17023784 0.87 CYP2J2 (0.81) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL2763950 0.86 CYP2J2 (0.83) CYP2J2CYP3A4CYP2C9CYP2B6KCNH2
SCHEMBL11789303 0.86 CYP2J2 (0.80) CYP2J2CYP3A4CYP2C9CYP2B6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091938-B1 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTISUB II INC (US) 2010-10-20 — — EP claimed
US-6930197-B2 Antihistaminic piperidine derivatives and intermediates for the preparation thereof AVENTIS PHARMACEUTICALS INC. (US) 2005-08-16 — — US claimed
US-6730791-B2 FOR THERAPY OF ALLERGIES AVENTIS PHARMACEUTICALS INC. 2004-05-04 — — US claimed
US-6683094-B2 4-(1-HYDROXY-4-(4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL)BUTYL) -ALPHA-(HYDROXYMETHYL)-ALPHA-METHYL-BENZENEACETIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. 2004-01-27 — — US claimed
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2003-01-30 — — US claimed
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-08-15 — — US claimed
US-20020099088-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 — — US claimed
EP-1091938-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF Aventis Pharmaceuticals Inc. (US) 2001-04-18 — — EP claimed
WO-2000001671-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2000-01-13 — — WO claimed
EP-1091938-B1 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTISUB II INC (US) 2010-10-20 — — EP disclosed
US-6930197-B2 Antihistaminic piperidine derivatives and intermediates for the preparation thereof AVENTIS PHARMACEUTICALS INC. (US) 2005-08-16 — — US disclosed
US-6730791-B2 FOR THERAPY OF ALLERGIES AVENTIS PHARMACEUTICALS INC. 2004-05-04 — — US disclosed
US-6700012-B2 FOR THERAPY OF ALLERGIC DISORDERS AVENTIS PHARMACEUTICALS INC. 2004-03-02 — — US disclosed
US-6689898-B2 FOR THERAPY OF ALLERGIES AVENTIS PHARMACEUTICALS INC. 2004-02-10 — — US disclosed
US-20020099088-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 — — US disclosed
US-20020099077-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 — — US disclosed
US-20020099090-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 — — US disclosed
US-20020099091-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 — — US disclosed
EP-1091938-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF Aventis Pharmaceuticals Inc. (US) 2001-04-18 — — EP disclosed
WO-2000001671-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2000-01-13 — — WO 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 (6 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-20020099088-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH2, HRH1, HRH4 CYP2J2 314/4885CYP3A4 207/4885CYP2C9 614/4885
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 CYP2J2 295/4885CYP3A4 190/4885CYP2C9 479/4885
US-20020099077-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 CYP2J2 559/4885CYP3A4 432/4885CYP2C9 657/4885
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 CYP2J2 431/4885CYP3A4 299/4885CYP2C9 355/4885
US-20020099091-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 CYP2J2 454/4885CYP3A4 329/4885CYP2C9 759/4885
US-20020099090-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 CYP2J2 276/4885CYP3A4 228/4885CYP2C9 522/4885

“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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