SCHEMBL425824

SCHEMBL425824

CC1(C)OC(c2ccccc2)CN1C(=O)n1cnc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
CES2 O00748 1/20 0.39
SCD5 Q86SK9 2/20 0.32
SCD O00767 1/20 0.32
USP19 O94966 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3B P49841 1/20 0.31
NOS2 P35228 1/20 0.30
HPGD P15428 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL425915 0.94 ALDH1A1 (0.38) FAAHCES2SCD5SCDHPGD
SCHEMBL424634 0.83 FAAH (0.42) FAAHCES2USP19
SCHEMBL425869 0.77 FAAH (0.43) FAAHCES2USP19CYP1A2HPGD
SCHEMBL425825 0.76 FAAH (0.40) FAAHCES2SCD5SCDUSP19
SCHEMBL425743 0.74 FAAH (0.43) FAAHCES2USP19CYP1A2HPGD
SCHEMBL427099 0.74 MAP4K4 (0.36) FAAHCES2HPGD
SCHEMBL7902610 0.73 FAAH (0.33) FAAHCES2
SCHEMBL856664 0.70 ALDH1A1 (0.40) HPGD
SCHEMBL427485 0.69 FAAH (0.38) FAAHCES2CYP1A2HPGD
SCHEMBL424570 0.68 FAAH (0.44) FAAHCES2USP19HPGDGPR119

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 5 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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 62/4885SCD5 83/4885

“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.