SCHEMBL427987

SCHEMBL427987

COc1ccc(-c2cn(C(=O)N(C)C3CCN(CCO)CC3)cn2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
CES2 O00748 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
RPS6KB1 P23443 2/20 0.40
AKT1 P31749 2/20 0.40
CCR5 P51681 2/20 0.39
MCHR1 Q99705 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.38
AVPR1B P47901 1/20 0.37
CDK9 P50750 2/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
MAPK1 P28482 1/20 0.37
CCNT1 O60563 1/20 0.37
HTR2A P28223 1/20 0.36
PIK3CD O00329 1/20 0.36
NTRK1 P04629 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL427435 0.93 FAAH (0.42) FAAHCES2CD274RPS6KB1AKT1
SCHEMBL424915 0.91 FAAH (0.44) FAAHCES2CD274RPS6KB1AKT1
SCHEMBL426210 0.90 HRH3 (0.41) FAAHCES2CD274RPS6KB1AKT1
SCHEMBL427281 0.87 CHRM4 (0.44) FAAHCES2KCNH2HTR2AKDM4E
SCHEMBL428068 0.87 FAAH (0.46) FAAHCES2CCR5MCHR1GRIN1
SCHEMBL427920 0.87 FAAH (0.55) FAAHCES2RPS6KB1AKT1KCNH2
SCHEMBL16432546 0.86 MCHR1 (0.44) FAAHCES2CCR5MCHR1KCNH2
SCHEMBL425833 0.86 FAAH (0.56) FAAHCES2RPS6KB1AKT1KCNH2
SCHEMBL426166 0.86 FAAH (0.44) FAAHCES2RPS6KB1AKT1CCR5
SCHEMBL427432 0.84 SMN1; SMN2 (0.45) FAAHCES2CCR5ALDH1A1

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 62/4885CD274 4709/4885

“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.