SCHEMBL3604906

SCHEMBL3604906

O=Cc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 2/20 0.42
ERN1 O75460 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.37
S1PR4 O95977 2/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
PTGER4 P35408 1/20 0.36
SRC P12931 1/20 0.36
MET P08581 3/20 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
SCHEMBL13510928 0.86 PDGFRB (0.50) TDP1HSD17B10ERN1PDGFRBPDGFRA
SCHEMBL16963494 0.86 ALDH1A1 (0.42) TDP1HSD17B10PDGFRBPDGFRAPDE3B
SCHEMBL27668815 0.79 PDGFRB (0.44) HSD17B10PDGFRBPDGFRAKDM4ESMN1; SMN2
SCHEMBL23748323 0.79 ALDH1A1 (0.46) PDGFRBPDGFRAPDE3BPDE3AKDM4E
SCHEMBL15684790 0.79 MAP4K4 (0.42) PDGFRBPDGFRAPDE3BPDE3AKDM4E
SCHEMBL15941400 0.79 ALDH1A1 (0.41) PDGFRBPDGFRAPDE3BPDE3AKDM4E
SCHEMBL9302 0.79 ALDH1A1 (0.41) ERN1PDGFRBPDGFRAALDH1A1RAB9A
SCHEMBL28158355 0.77 PDGFRB (0.40) PDGFRBPDGFRAKDM4EALDH1A1POLB
SCHEMBL232458 0.76 PDGFRB (0.65) PDGFRBPDGFRAKDM4EALDH1A1MAPT
SCHEMBL4732216 0.75 ALDH1A1 (0.57) TDP1ERN1PDGFRBPDGFRAPDE3B

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-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
US-9169224-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2015-10-27 US disclosed
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 disclosed
US-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-12-12 US disclosed
US-8530476-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
CN-101146786-B Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
US-7598249-B2 4-(3,4-dibromo-benzyl)-piperazine-1-carboxylic acid pyridin-3-ylamide; fatty acid amide hydrolase (FAAH) activity; anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders such as multiple sclerosis JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-06 US disclosed
CN-101146786-A Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 CN disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 WO disclosed
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 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 (5 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-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 TDP1 4071/4885HSD17B10 2312/4885ERN1 2606/4885
US-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 TDP1 2526/4885HSD17B10 2026/4885ERN1 3732/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 TDP1 4071/4885HSD17B10 2312/4885ERN1 2606/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 TDP1 4071/4885HSD17B10 2312/4885ERN1 2606/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 TDP1 1578/4885HSD17B10 3349/4885ERN1 1906/4885

“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.