SCHEMBL426210

SCHEMBL426210

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
FAAH O00519 1/20 0.40
CES2 O00748 1/20 0.40
AVPR1B P47901 2/20 0.40
RPS6KB1 P23443 2/20 0.39
AKT1 P31749 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM1A O60341 5/20 0.37
CCR5 P51681 2/20 0.37
PIK3CD O00329 1/20 0.36
NTRK1 P04629 1/20 0.36
HTR2A P28223 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL427987 0.90 FAAH (0.42) HRH3FAAHCES2AVPR1BRPS6KB1
SCHEMBL427435 0.90 FAAH (0.42) HRH3FAAHCES2AVPR1BRPS6KB1
SCHEMBL427198 0.89 FAAH (0.42) HRH3FAAHCES2AVPR1BRPS6KB1
SCHEMBL424915 0.88 FAAH (0.44) HRH3FAAHCES2RPS6KB1AKT1
SCHEMBL427281 0.84 CHRM4 (0.44) FAAHCES2HTR2AKCNH2
SCHEMBL427920 0.84 FAAH (0.55) FAAHCES2RPS6KB1AKT1MAPK1
SCHEMBL16432546 0.83 MCHR1 (0.44) FAAHCES2CCR5HTR2AKCNH2
SCHEMBL425833 0.83 FAAH (0.56) FAAHCES2RPS6KB1AKT1MAPK1
SCHEMBL426166 0.83 FAAH (0.44) FAAHCES2AVPR1BRPS6KB1AKT1
SCHEMBL427432 0.82 SMN1; SMN2 (0.45) FAAHCES2CCR5

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
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-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
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 HRH3 95/4885FAAH 1/4885CES2 62/4885

“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.