SCHEMBL5263129

SCHEMBL5263129

CC(Cc1cccc(C#N)c1)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
FOLH1 Q04609 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PIN1 Q13526 1/20 0.49
LMNA P02545 2/20 0.47
CNR1 P21554 4/20 0.47
MAOB P27338 1/20 0.46
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
CNR2 P34972 2/20 0.45
NLRP3 Q96P20 1/20 0.45
GPR139 Q6DWJ6 1/20 0.44
PRCP P42785 1/20 0.44
ACACB O00763 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL13483218 0.87 CNR1 (0.57) GLANPC1RAB9APIN1CNR1
SCHEMBL4499875 0.82 CTSS (0.53) GLAFOLH1NLRP3ACACB
SCHEMBL21144823 0.82 PIN1 (0.54) GLAFOLH1PIN1LMNACNR1
SCHEMBL21144821 0.82 PIN1 (0.54) GLAFOLH1PIN1LMNACNR1
SCHEMBL3937791 0.81 FOLH1 (0.59) GLAFOLH1PIN1LMNACNR1
SCHEMBL12653044 0.81 FOLH1 (0.59) GLAFOLH1PIN1LMNACNR1
SCHEMBL19442376 0.80 GLA (0.56) GLAFOLH1TAAR1
SCHEMBL2143263 0.79 NPC1 (0.56) NPC1RAB9ALMNATAAR1
SCHEMBL2747345 0.79 NPC1 (0.56) NPC1RAB9ALMNATAAR1
SCHEMBL2747349 0.79 NPC1 (0.56) NPC1RAB9ALMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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 (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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP GLA 1588/4885FOLH1 2743/4885NPC1 3865/4885

“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.