SCHEMBL427198

SCHEMBL427198

Cc1ccc(-c2cn(C(=O)N(C)C3CCN(CCC#N)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
ALDH1A1 P00352 1/20 0.38
RPS6KB1 P23443 2/20 0.37
AKT1 P31749 2/20 0.37
MAPT P10636 1/20 0.36
HTR1A P08908 2/20 0.36
DRD4 P21917 2/20 0.36
HTR1B P28222 2/20 0.36
DRD3 P35462 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP30 Q70CQ3 2/20 0.35
CCR5 P51681 1/20 0.35
GSK3B P49841 3/20 0.35
DYRK1A Q13627 2/20 0.35
AVPR1B P47901 1/20 0.35
GRIN2B Q13224 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
SCHEMBL426210 0.89 HRH3 (0.41) FAAHCES2RPS6KB1AKT1HRH3
SCHEMBL424244 0.80 FAAH (0.48) FAAHCES2KCNH2GSK3BDYRK1A
SCHEMBL428262 0.78 FAAH (0.44) FAAHCES2DRD3KCNH2CCR5
SCHEMBL426209 0.78 FAAH (0.46) FAAHCES2HRH3KCNH2GSK3B
SCHEMBL427987 0.78 FAAH (0.42) FAAHCES2ALDH1A1RPS6KB1AKT1
SCHEMBL427435 0.78 FAAH (0.42) FAAHCES2RPS6KB1AKT1HRH3
SCHEMBL7893697 0.77 FAAH (0.52) FAAHCES2DRD4DRD3USP30
SCHEMBL426166 0.76 FAAH (0.44) FAAHCES2RPS6KB1AKT1KCNH2
SCHEMBL426223 0.76 FAAH (0.46) FAAHCES2HRH3KCNH2CCR5
SCHEMBL427265 0.76 DRD2 (0.47) FAAHCES2DRD4DRD3KCNH2

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 2 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-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 62/4885ALDH1A1 294/4885

“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.