SCHEMBL542469

SCHEMBL542469

O=C1Nc2ccccc2N(C2CCCCC2)CC1NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
OGFRL1 Q5TC84 1/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
PGR P06401 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRL1 P41146 3/20 0.36
RIPK1 Q13546 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL542467 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL542317 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL542274 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL542272 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6176058 0.82 EPHX2 (0.43) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6175781 0.82 EPHX2 (0.43) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6175789 0.82 EPHX2 (0.43) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6176794 0.82 EPHX2 (0.43) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6176893 0.81 EPHX2 (0.44) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6176897 0.81 EPHX2 (0.44) OPRM1OPRD1OPRK1OGFRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 OPRM1 159/4885OPRD1 112/4885OPRK1 156/4885

“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.