SCHEMBL1758811

SCHEMBL1758811

C1=Cc2ccc3sccc3c2SN=C1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR1A P08908 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6001880 0.69 DRD2 (0.40) HTR2CHTR3EHTR3BHTR1AHTR3A
SCHEMBL616087 0.64 HTR2C (1.00) HTR2CKDM4EMAPT
SCHEMBL294010 0.64 HTR1A (0.56) HTR2CHTR3EHTR3BHTR1AHTR3A
Hydrochloric Acid SCHEMBL29433207 0.62 KDM4E (0.57) HTR2CHTR3EHTR3BHTR1AHTR3A
Hydrochloric Acid SCHEMBL31094011 0.62 KDM4E (0.57) HTR2CHTR3EHTR3BHTR1AHTR3A
Hydrochloric Acid SCHEMBL23270836 0.62 KDM4E (0.57) HTR2CHTR3EHTR3BHTR1AHTR3A
Hydrochloric Acid SCHEMBL294116 0.62 KDM4E (0.57) HTR2CHTR3EHTR3BHTR1AHTR3A
SCHEMBL1735690 0.61 HTR2C (0.52) HTR2CHTR3EHTR3BHTR1AHTR3A
SCHEMBL6240787 0.60 KDM4E (0.30) KDM4EMAPT
SCHEMBL24719283 0.60 HTR1A (0.50) HTR2CHTR3EHTR3BHTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120225097-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSSEN PHARMACEUTICA NV (BE) 2012-09-06 US disclosed
WO-2011060026-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) JANSEN PHARMACEUTICA NV (BE) 2011-05-19 WO 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
US-7541359-B2 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-02 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
WO-2007005510-A1 N-HETEROARYLPIPERAZINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 WO disclosed
US-20070004741-A1 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase APODACA RICHARD 2007-01-04 US 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 (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 HTR2C 368/4885HTR3E 736/4885HTR3B 420/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 HTR2C 368/4885HTR3E 736/4885HTR3B 420/4885
US-20120225097-A1 PIPERAZINECARBOXAMIDE DERIVATIVE USEFUL AS A MODULATOR OF FATTY ACID AMIDE HYDROLASE (FAAH) FAAH, FAAH2, APEH HTR2C 105/4885HTR3E 209/4885HTR3B 152/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 HTR2C 368/4885HTR3E 736/4885HTR3B 420/4885
US-20070004741-A1 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, CNR2 HTR2C 166/4885HTR3E 179/4885HTR3B 97/4885

“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.