SCHEMBL426575

SCHEMBL426575

CN(C(=O)n1cnc(-c2cccc(-c3cccc(C(N)=O)c3)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.50
OPRK1 P41145 4/20 0.50
OPRM1 P35372 3/20 0.50
DRD2 P14416 4/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 1/20 0.47
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR3 P51677 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM3 P20309 2/20 0.42
GAA P10253 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL424816 0.90 DRD2 (0.57) OPRM1DRD2DRD4DRD3FAAH
SCHEMBL16432635 0.89 MEN1 (0.47) OPRD1OPRK1OPRM1DRD4FAAH
SCHEMBL425027 0.88 DRD2 (0.49) OPRD1OPRK1OPRM1DRD2DRD4
SCHEMBL16439290 0.88 OPRM1 (0.46) OPRD1OPRK1OPRM1DRD4FAAH
Hydrochloric Acid SCHEMBL16431867 0.88 MEN1 (0.46) OPRD1OPRK1OPRM1DRD4FAAH
SCHEMBL425287 0.88 HDAC1 (0.52) OPRD1OPRM1DRD2DRD4DRD3
SCHEMBL427918 0.88 FAAH (0.47) OPRD1OPRK1OPRM1FAAHCES2
Hydrochloric Acid SCHEMBL16432086 0.88 OPRM1 (0.46) OPRD1OPRK1OPRM1DRD4FAAH
SCHEMBL16439270 0.87 DRD2 (0.50) OPRD1OPRK1OPRM1DRD2DRD4
SCHEMBL14950287 0.87 DRD2 (0.50) OPRM1DRD2DRD4DRD3FAAH

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 8 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP 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 OPRD1 967/4885OPRK1 577/4885OPRM1 887/4885

“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.