SCHEMBL2763950

SCHEMBL2763950

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

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.83
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ CYP2B6 P20813 2/20 0.74
▸ HRH1 P35367 4/20 0.62
▸ KCNH2 Q12809 2/20 0.62

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
SCHEMBL11798280 0.88 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11793534 0.87 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11541690 0.87 CYP2J2 (0.83) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11795603 0.86 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2763481 0.86 CYP2J2 (0.75) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL3949330 0.86 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL17023784 0.86 CYP2J2 (0.81) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Methane SCHEMBL6325016 0.85 CYP2J2 (0.77) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL7621966 0.85 CYP2J2 (0.81) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11838580 0.85 CYP2J2 (0.81) 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 15 patents. 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 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-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 disclosed
US-6673933-B2 1-(3-(4-(1,1-BIS(ALKYOXYCARBONYL)ALKYL)PHENYL)CARBONYLPROPYL), 4-(HYDROXYDIPHENYLMETHYL)PIPERIDINE AVENTIS PHARMACEUTICAL INC. 2004-01-06 — — US disclosed
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2003-01-30 — — US disclosed
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-08-15 — — 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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