SCHEMBL426063

SCHEMBL426063

CN(C(=O)n1cnc(-c2ccc(OCCN3CCCCC3)cc2)c1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
CES2 O00748 1/20 0.55
KDM4E B2RXH2 2/20 0.47
PSMB1 P20618 3/20 0.46
PSMB5 P28074 3/20 0.46
PSMB2 P49721 2/20 0.46
HRH3 Q9Y5N1 3/20 0.46
AVPR1B P47901 1/20 0.46
OPRK1 P41145 1/20 0.45
SYK P43405 2/20 0.45
HTR2A P28223 2/20 0.44
LTA4H P09960 1/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44

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
SCHEMBL427723 0.93 FAAH (0.52) FAAHCES2KDM4EHRH3SYK
SCHEMBL424186 0.93 FAAH (0.52) FAAHCES2KDM4EAVPR1BSYK
Hydrochloric Acid SCHEMBL446668 0.92 FAAH (0.51) FAAHCES2KDM4EAVPR1BSYK
SCHEMBL425150 0.88 FAAH (0.47) FAAHCES2KDM4E
SCHEMBL425988 0.85 FAAH (0.54) FAAHCES2KDM4EAVPR1B
Hydrochloric Acid SCHEMBL446616 0.84 FAAH (0.53) FAAHCES2KDM4EAVPR1B
SCHEMBL425987 0.84 FAAH (0.53) FAAHCES2KDM4EHRH3AVPR1B
SCHEMBL7901177 0.83 FAAH (0.54) FAAHCES2HRH3
SCHEMBL425992 0.83 FAAH (0.62) FAAHCES2
SCHEMBL424569 0.82 LTA4H (0.51) KDM4EPSMB1PSMB5HRH3AVPR1B

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 62/4885KDM4E 1982/4885

“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.