SCHEMBL2763483

SCHEMBL2763483

CC(c1ccc(C(=O)C2CC2)cc1)C(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SRD5A2 P31213 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
MGLL Q99685 6/20 0.41
FAAH O00519 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL3672984 0.83 PTGS2 (0.50) NPC1RAB9AKMT2AHTR2A
SCHEMBL2763268 0.81 NPC1 (0.43) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL2923177 0.80 MGLL (0.56) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL2763299 0.79 SRC (0.48) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL2762912 0.78 NPC1 (0.41) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL3750287 0.77 NPC1 (0.49) NPC1RAB9ASRD5A2MEN1KMT2A
SCHEMBL14312085 0.77 SRD5A2 (0.54) SRD5A2KMT2AHTR2A
SCHEMBL11195181 0.77 SRD5A2 (0.54) SRD5A2KMT2AHTR2A
SCHEMBL14312084 0.77 SRD5A2 (0.54) SRD5A2KMT2AHTR2A
SCHEMBL2762748 0.76 KCNH2 (0.44) NPC1RAB9ASRD5A2MEN1KMT2A

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 13 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

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 NPC1 1460/4885RAB9A 3030/4885SRD5A2 3735/4885
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 NPC1 895/4885RAB9A 2598/4885SRD5A2 2641/4885
US-20020099077-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 NPC1 708/4885RAB9A 1808/4885SRD5A2 1683/4885
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 NPC1 860/4885RAB9A 1981/4885SRD5A2 2377/4885
US-20020099091-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 NPC1 976/4885RAB9A 2788/4885SRD5A2 2180/4885
US-20020099090-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 NPC1 830/4885RAB9A 2449/4885SRD5A2 2021/4885

“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.