SCHEMBL380831

SCHEMBL380831

CCCCCC(N=C=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.45
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
NAAA Q02083 2/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
ASAH1 Q13510 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 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
SCHEMBL11240238 0.98 MIF (0.44) MIFOPRM1OPRD1OPRK1OPRL1
SCHEMBL6744506 0.88 MIF (0.49) MIFOPRM1OPRD1OPRK1OPRL1
SCHEMBL7808 0.83 MIF (0.67) MIFOPRM1OPRD1OPRK1OPRL1
SCHEMBL4304143 0.83 MIF (0.45) MIFOPRM1OPRD1OPRK1OPRL1
SCHEMBL17274465 0.82 MIF (0.65) MIFOPRM1OPRD1OPRK1OPRL1
SCHEMBL11231906 0.81 CYP3A4 (0.39) PRSS1PRSS2PRSS3
SCHEMBL727626 0.80 MIF (0.67) MIFPOLBNOS3NOS2
SCHEMBL6970517 0.80 MIF (0.67) MIFPOLBNOS3NOS2
SCHEMBL957752 0.80 MIF (0.67) MIFPOLBNOS3NOS2
SCHEMBL22444524 0.78 TSHR (0.41) NAAACNR2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 MIF 4850/4885OPRM1 261/4885OPRD1 137/4885

“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.