SCHEMBL425913

SCHEMBL425913

CC(C)(C)C(Cc1ccccc1)C(=O)n1cnc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CAPN1 P07384 1/20 0.40
USP19 O94966 1/20 0.40
USP7 Q93009 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL425791 0.85 FAAH (0.50) FAAHKDM5AKDM4CKDM5BCAPN1
SCHEMBL443278 0.75 FAAH (0.54) FAAHMAPTHSD17B10KDM4EMEN1
SCHEMBL10944523 0.75 CYP24A1 (0.51) FAAHHCRTR1HCRTR2USP7MAPT
SCHEMBL10645106 0.73 FAAH (0.56) FAAHMAPTCYP2C9CYP2C19CYP2E1
SCHEMBL27647927 0.71 GPR119 (0.49) FAAH
SCHEMBL66965 0.70 CYP1A2 (0.55) MAPTCYP2C9CYP2C19HSD17B10KDM4E
SCHEMBL15426321 0.70 CYP1A2 (0.55) MAPTCYP2C9CYP2C19HSD17B10KDM4E
SCHEMBL16745498 0.70 HSD17B10 (0.68) HCRTR1HCRTR2USP7HSD17B10CHRM1
SCHEMBL7167346 0.70 FAAH (0.48) FAAHCYP2C9CYP2C19CYP2E1CYP3A4
SCHEMBL2181000 0.70 FAAH (0.64) FAAHCYP2C9CYP2C19CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885HCRTR1 196/4885HCRTR2 171/4885

“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.