SCHEMBL427990

SCHEMBL427990

CN(C(=O)n1cnc(-c2ccccc2)c1)[C@H]1CC[C@H](OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
CES2 O00748 1/20 0.52
USP19 O94966 1/20 0.41
POLB P06746 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
TRPA1 O75762 1/20 0.38
MGLL Q99685 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MERTK Q12866 1/20 0.37
KAT8 Q9H7Z6 2/20 0.37
KAT6A Q92794 1/20 0.37
CCR5 P51681 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
AOC3 Q16853 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
SCHEMBL14937796 0.93 FAAH (0.47) FAAHCES2USP19AOC3
SCHEMBL14937794 0.93 FAAH (0.47) FAAHCES2USP19AOC3
SCHEMBL14937999 0.89 FAAH (0.43) FAAHCES2USP19GPR119MERTK
SCHEMBL14938000 0.89 FAAH (0.43) FAAHCES2USP19GPR119MERTK
SCHEMBL526132 0.85 KDM4E (0.41) FAAHCES2
SCHEMBL14938160 0.85 KDM4E (0.41) FAAHCES2
SCHEMBL427259 0.82 FAAH (0.53) FAAHCES2USP19TRPV1TRPA1
SCHEMBL427995 0.82 FAAH (0.60) FAAHCES2USP19POLBTRPV1
SCHEMBL525315 0.82 FAAH (0.58) FAAHCES2USP19TRPV1TRPA1
SCHEMBL526198 0.81 FAAH (0.58) FAAHCES2USP19TRPV1TRPA1

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 62/4885USP19 744/4885

“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.