SCHEMBL425803

SCHEMBL425803

CN(C(=O)n1cnc(-c2cccc(-c3cccc(Cl)c3)c2)c1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.64
CES2 O00748 1/20 0.64
CNR2 P34972 1/20 0.42
TP53 P04637 2/20 0.41
GRM5 P41594 4/20 0.41
USP19 O94966 1/20 0.40
MCHR1 Q99705 1/20 0.40
OPRK1 P41145 1/20 0.40
NPC1 O15118 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
GRIN2B Q13224 1/20 0.39
TRPA1 O75762 1/20 0.39
MGLL Q99685 1/20 0.39
CHRM1 P11229 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL424585 0.90 FAAH (0.67) FAAHCES2USP19NPC1TRPV1
SCHEMBL424608 0.88 FAAH (0.65) FAAHCES2USP19NPC1TRPV1
SCHEMBL427817 0.88 FAAH (0.65) FAAHCES2USP19NPC1TRPV1
SCHEMBL427093 0.88 FAAH (0.58) FAAHCES2TP53USP19NPC1
SCHEMBL425811 0.87 FAAH (0.65) FAAHCES2MCHR1NPC1TRPV1
SCHEMBL424383 0.86 FAAH (0.74) FAAHCES2USP19NPC1TRPV1
SCHEMBL425885 0.86 FAAH (0.63) FAAHCES2USP19NPC1TRPV1
SCHEMBL526192 0.86 FAAH (0.67) FAAHCES2TP53GRM5USP19
SCHEMBL425372 0.86 FAAH (0.67) FAAHCES2USP19NPC1TRPV1
SCHEMBL424587 0.85 FAAH (0.62) FAAHCES2TP53MCHR1OPRK1

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 62/4885CNR2 9/4885

“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.