SCHEMBL1765046

SCHEMBL1765046

Oc1ccc(C2CCCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.44
MIF P14174 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
DRD4 P21917 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NOTUM Q6P988 2/20 0.38
HSP90AB1 P08238 1/20 0.38
ABL1 P00519 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ESR2 Q92731 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMO O15229 1/20 0.36
ESR1 P03372 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
SCHEMBL3143337 0.98 DEGS1 (0.47) DEGS1MIFOPRM1OPRL1DRD4
SCHEMBL29526783 0.96 OPRM1 (0.43) DEGS1MIFOPRM1OPRL1DRD4
SCHEMBL29410679 0.91 OPRM1 (0.46) DEGS1MIFOPRM1OPRL1DRD4
SCHEMBL1765638 0.91 OPRM1 (0.46) DEGS1MIFOPRM1OPRL1DRD4
SCHEMBL6253871 0.82 OPRM1 (0.41) DEGS1OPRM1OPRL1DRD4L3MBTL1
SCHEMBL18740585 0.82 USP7 (0.50) OPRM1OPRL1DRD4NOTUMKMT2A
SCHEMBL29400886 0.82 USP7 (0.50) OPRM1OPRL1DRD4NOTUMKMT2A
SCHEMBL6253868 0.82 OPRM1 (0.41) DEGS1OPRM1OPRL1DRD4L3MBTL1
SCHEMBL8332306 0.81 ESR2 (0.55) DEGS1MIFOPRM1OPRL1DRD4
SCHEMBL9998388 0.81 ESR2 (0.55) DEGS1OPRM1OPRL1DRD4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
WO-2009140163-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK & CO., INC. (US) 2009-11-19 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-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 DEGS1 3785/4885MIF 2810/4885OPRM1 178/4885

“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.