SCHEMBL188371

SCHEMBL188371

CN(C)CCCOc1c[c]ccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LSS P48449 1/20 0.51
HRH3 Q9Y5N1 2/20 0.49
LTA4H P09960 1/20 0.45
CACNA1B Q00975 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL9851861 0.93 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2LSSHRH3
SCHEMBL1419119 0.91 LTA4H (0.54) KDM4EALDH1A1HRH3LTA4HCHRNB2
SCHEMBL1283116 0.83 KDM4E (0.49) KDM4EHRH3ESR1
SCHEMBL25274083 0.83 DRD4 (0.44) KDM4EALDH1A1SMN1; SMN2LTA4HCHRNB2
SCHEMBL27487618 0.82 FDPS (0.47) HRH3
SCHEMBL3160976 0.82 PDK2 (0.47) KDM4EALDH1A1SMN1; SMN2LTA4HCHRNB2
SCHEMBL5704638 0.81 KCNA3 (0.42) KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL131741 0.80 LTA4H (0.53) ALDH1A1SMN1; SMN2HRH3LTA4HESR1
SCHEMBL921435 0.79 KCNA3 (0.43) KDM4EALDH1A1LTA4H
SCHEMBL920281 0.79 CYP1A2 (0.41) KDM4EALDH1A1SMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836179-B1 PIPERIDINE- AND PIPERAZINE-1-CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP claimed
US-8530476-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US claimed
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US claimed
US-7297792-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-20 US claimed
EP-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP claimed
US-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS GARLAND STEPHEN 2006-10-05 US claimed
US-7109199-B2 Pyrazolopyridines and pyrazolopyridazines as antidiabetics SMITHKLINE BEECHAM CORPORATION (US) 2006-09-19 US claimed
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 US claimed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
EP-0325406-B1 Diamine compounds ICI PLC (GB) 1993-12-29 EP claimed
EP-0325406-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP claimed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2018-09-27 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
EP-0325406-B1 Diamine compounds ICI PLC (GB) 1993-12-29 EP disclosed
US-5229414-A Arylacetamide-arylalkylpyrrolidine as hypotensive agents, antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-20 US disclosed
EP-0325406-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP 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 (7 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-20060223800-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES ADN ANTIDIABETICS ADK, PDXK, GPR119 KDM4E 2081/4885ALDH1A1 462/4885SMN1; SMN2 4363/4885
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD KDM4E 1105/4885ALDH1A1 709/4885SMN1; SMN2 1532/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD KDM4E 1105/4885ALDH1A1 709/4885SMN1; SMN2 1532/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 KDM4E 704/4885ALDH1A1 1437/4885SMN1; SMN2 1769/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 KDM4E 704/4885ALDH1A1 1437/4885SMN1; SMN2 1769/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD KDM4E 1105/4885ALDH1A1 709/4885SMN1; SMN2 1532/4885
US-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP KDM4E 2403/4885ALDH1A1 708/4885SMN1; SMN2 3315/4885

“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.