SCHEMBL2414535

SCHEMBL2414535

NCCc1ccc(-c2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.56
CYP11B2 P19099 13/20 0.56
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HTR2A P28223 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1720975 0.85 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4SMN1; SMN2LOXL2
SCHEMBL30083539 0.85 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4SMN1; SMN2LOXL2
Hydrochloric Acid SCHEMBL5010818 0.83 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4SMN1; SMN2LOXL2
SCHEMBL13416052 0.83 CYP11B1 (0.57) CYP11B1CYP11B2CYP3A4SMN1; SMN2NPC1
SCHEMBL14879788 0.81 SMN1; SMN2 (0.67) CYP11B1CYP11B2CYP3A4SMN1; SMN2NPC1
SCHEMBL10483937 0.78 PDCD1 (0.53) CYP11B1CYP11B2CYP3A4
SCHEMBL13244014 0.78 RAB9A (0.47) CYP11B1CYP11B2CYP3A4SMN1; SMN2NPC1
SCHEMBL5298125 0.77 FFAR1 (0.61) CYP11B1CYP11B2SMN1; SMN2NPC1RAB9A
SCHEMBL2412899 0.77 CYP11B1 (0.59) CYP11B1CYP11B2CYP3A4SMN1; SMN2NPC1
SCHEMBL18381563 0.77 SMN1; SMN2 (0.54) CYP11B1SMN1; SMN2HTR2ALOXL2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
WO-2015172196-A1 HETEROCYCLIC COMPOUNDS AND USE OF SAME MONASH UNIVERSITY (AU) 2015-11-19 WO disclosed
WO-2015172196-A1 HETEROCYCLIC COMPOUNDS AND USE OF SAME MONASH UNIVERSITY (AU) 2015-11-19 WO disclosed
US-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
US-7645757-B2 Derivatives of heteroaryl-alkylcarbamates, methods for their preparation and use thereof as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2010-01-12 US disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP disclosed
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 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-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 CYP11B1 712/4885CYP11B2 1557/4885CYP3A4 536/4885
US-20100069405-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 CYP11B1 712/4885CYP11B2 1557/4885CYP3A4 536/4885
US-20070021426-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 CYP11B1 1272/4885CYP11B2 1659/4885CYP3A4 834/4885

“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.