SCHEMBL17519152

SCHEMBL17519152

NC(c1ccc(Cl)cc1)C(N)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 3/20 0.42
DPP4 P27487 2/20 0.41
ADRB2 P07550 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AOC3 Q16853 1/20 0.37

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
SCHEMBL15951915 0.86 CES2 (0.41) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL3254640 0.86 IDO1 (0.52) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL3253159 0.86 IDO1 (0.52) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL12568799 0.86 IDO1 (0.52) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL17842140 0.85 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL10630426 0.82 IDO1 (0.46) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL17519156 0.82 OPRM1 (0.49) OPRL1OPRM1OPRD1OPRK1IDO1
SCHEMBL17519159 0.79 SLC7A5 (0.50) OPRL1OPRM1IDO1TDO2DPP4
SCHEMBL22088893 0.78 SLC1A1 (0.46) OPRL1HDAC4HDAC7HDAC5CES2
SCHEMBL19696805 0.78 SLC1A1 (0.46) OPRL1HDAC4HDAC7HDAC5CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647702-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-05-12 US disclosed
US-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2019-11-14 US disclosed
EP-2621275-B1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDRENS RES HOSPITAL (US) 2018-03-28 EP disclosed
US-9822100-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-11-21 US disclosed
US-20160297800-A1 ARYL-SUBSTITUTED IMIDAZOLES ST JUDE CHILDREN'S RES HOSPITAL (US) 2016-10-13 US disclosed
US-9266860-B2 Aryl-substituted imidazoles ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-23 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 (3 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-20190345141-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 OPRL1 3301/4885OPRM1 4184/4885OPRD1 4183/4885
US-10647702-B2 Aryl-substituted imidazoles MDM2, TP53, MDM4 OPRL1 3301/4885OPRM1 4184/4885OPRD1 4183/4885
US-20160297800-A1 ARYL-SUBSTITUTED IMIDAZOLES MDM2, TP53, MDM4 OPRL1 3301/4885OPRM1 4184/4885OPRD1 4183/4885

“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.