SCHEMBL3602106

SCHEMBL3602106

O=C(O)N1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
FAAH O00519 3/20 0.71
MC4R P32245 1/20 0.68
MC5R P33032 1/20 0.68
NPC1 O15118 1/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 3/20 0.62
MGLL Q99685 1/20 0.59
SIGMAR1 Q99720 1/20 0.57

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
SCHEMBL5487639 0.85 HRH3 (0.66) KMT2AFAAHMC4RMC5RNPC1
SCHEMBL13150708 0.85 FAAH (0.64) KMT2AFAAHMC4RMC5RNPC1
SCHEMBL27999347 0.85 KMT2A (0.89) KMT2AFAAHMC4RMC5RPKM
SCHEMBL21044068 0.85 KMT2A (0.71) KMT2AFAAHMC4RMC5RNPC1
SCHEMBL30218457 0.85 KMT2A (0.71) KMT2AFAAHMC4RMC5RNPC1
SCHEMBL16830453 0.84 MC4R (0.56) KMT2AFAAHMC4RMC5RNPC1
SCHEMBL4750742 0.84 KMT2A (1.00) KMT2AFAAHMC4RMC5RNPC1
SCHEMBL3606503 0.84 FAAH (1.00) FAAH
SCHEMBL13150833 0.83 FAAH (0.62) KMT2AFAAHMC4RMC5RPKM
SCHEMBL5481589 0.83 SIGMAR1 (0.67) FAAHPKMSIGMAR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-12-12 US claimed
CN-101686979-A The urea modulators that the heteroaryl of fatty acid amide hydrolase replaces JANSSEN PHARMACEUTICA NV 2010-03-31 CN claimed
CN-101146786-A Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 CN 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-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
EP-2937341-B1 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 NV (BE) 2017-07-05 EP disclosed
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
CN-101146786-B Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
CN-101686979-A The urea modulators that the heteroaryl of fatty acid amide hydrolase replaces JANSSEN PHARMACEUTICA NV 2010-03-31 CN disclosed
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US 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
EP-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP 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
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 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 (3 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 KMT2A 571/4885FAAH 1/4885MC4R 823/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 KMT2A 571/4885FAAH 1/4885MC4R 823/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 KMT2A 571/4885FAAH 1/4885MC4R 823/4885

“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.