SCHEMBL426233

SCHEMBL426233

COc1ccc(-c2cn(C(=O)N(C)C3CCN(CC#N)CC3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
CES2 O00748 1/20 0.45
KDM2B Q8NHM5 1/20 0.42
MCHR1 Q99705 6/20 0.41
MTOR P42345 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CCR5 P51681 1/20 0.38
USP30 Q70CQ3 4/20 0.38
NOS2 P35228 1/20 0.37
BTK Q06187 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL426170 0.88 FAAH (0.48) FAAHCES2MCHR1KDM4EALDH1A1
SCHEMBL7893697 0.88 FAAH (0.52) FAAHCES2POLBCCR5USP30
SCHEMBL425470 0.87 FAAH (0.47) FAAHCES2MCHR1USP30
SCHEMBL428200 0.86 FAAH (0.46) FAAHCES2KDM2BMCHR1GRIN1
SCHEMBL428068 0.86 FAAH (0.46) FAAHCES2MCHR1GRIN1GRIN2B
SCHEMBL427261 0.84 CHRM2 (0.53) FAAHCES2MCHR1
SCHEMBL428291 0.84 FAAH (0.48) FAAHCES2MTORKDM4EALDH1A1
SCHEMBL425965 0.83 FAAH (0.61) FAAHCES2MCHR1GRIN1GRIN2B
SCHEMBL426222 0.83 MCHR1 (0.49) FAAHCES2MCHR1MTORKDM4E
SCHEMBL425992 0.82 FAAH (0.62) FAAHCES2MCHR1POLBGRIN1

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 1/4885CES2 62/4885KDM2B 1813/4885

“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.