SCHEMBL3637705

SCHEMBL3637705

O=C(Nc1nc2ccccc2s1)N1CCC(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB1 P19838 1/20 0.46
CSNK1D P48730 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL3639088 0.82 FAAH (0.60) FAAHSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29263369 0.81 FAAH (0.56) FAAHSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30576849 0.81 FAAH (0.56) FAAHSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30576803 0.79 FAAH (0.54) FAAHSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL26606442 0.79 FAAH (0.54) FAAHSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL26606539 0.79 KDM4E (0.53) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL30576814 0.79 KDM4E (0.53) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL13902966 0.79 TP53 (0.59) FAAHSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30576860 0.79 DHODH (0.54) FAAHSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29263339 0.79 DHODH (0.54) FAAHSMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP claimed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US claimed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO claimed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP disclosed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US disclosed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 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 (1 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-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 FAAH 1/4885SMN1; SMN2 1719/4885NPC1 1573/4885

“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.