SCHEMBL2762748

SCHEMBL2762748

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM2B Q8NHM5 2/20 0.38
CCKBR P32239 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRD5A2 P31213 1/20 0.37
MGLL Q99685 2/20 0.37
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL2763133 0.96 KCNH2 (0.46) KCNH2NPC1RAB9AHRH2HRH1
SCHEMBL2762912 0.92 NPC1 (0.41) KCNH2NPC1RAB9AHRH2HRH1
SCHEMBL2763268 0.85 NPC1 (0.43) KCNH2NPC1RAB9AHRH2HRH1
SCHEMBL7757885 0.79 ESR1 (0.48) LMNAMAPTCYP2C19CYP2D6
SCHEMBL2763483 0.76 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL9033366 0.73 NPC1 (0.45) NPC1RAB9AHRH2HRH1MEN1
SCHEMBL28522342 0.73 SLC1A2 (0.39) KCNH2HRH2HRH1CCKBRLMNA
SCHEMBL3672984 0.72 PTGS2 (0.50) NPC1RAB9AKMT2ALMNA
SCHEMBL2763299 0.72 SRC (0.48) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL11550836 0.71 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASRD5A2

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 KCNH2 86/4885NPC1 1460/4885RAB9A 3030/4885
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 KCNH2 94/4885NPC1 895/4885RAB9A 2598/4885
US-20020099077-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 KCNH2 71/4885NPC1 708/4885RAB9A 1808/4885
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 KCNH2 65/4885NPC1 860/4885RAB9A 1981/4885
US-20020099091-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 KCNH2 76/4885NPC1 976/4885RAB9A 2788/4885
US-20020099090-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 KCNH2 87/4885NPC1 830/4885RAB9A 2449/4885

“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.