SCHEMBL460483

SCHEMBL460483

COc1cccc([C@@H](CN2CC[C@H](O)C2)NC(=O)C2(c3ccc4oc(=O)[nH]c4c3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
OPRK1 P41145 5/20 0.38
OPRM1 P35372 2/20 0.38
HSD11B1 P28845 1/20 0.37
OPRD1 P41143 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
FKBP1A P62942 1/20 0.35
GRIN2B Q13224 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
SCHEMBL460484 1.00 CDC7 (0.39) CDC7OPRK1OPRM1HSD11B1OPRD1
SCHEMBL463462 0.90 OPRK1 (0.36) CDC7OPRK1OPRM1OPRD1GRIN2B
SCHEMBL463463 0.90 OPRK1 (0.36) CDC7OPRK1OPRM1OPRD1GRIN2B
SCHEMBL15380154 0.90 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL10083332 0.90 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL15380158 0.90 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL434660 0.89 ROCK2 (0.45) OPRK1ROCK2ROCK1
SCHEMBL434659 0.89 ROCK2 (0.45) OPRK1ROCK2ROCK1
SCHEMBL462958 0.87 OPRK1 (0.37) OPRK1OPRM1OPRD1
SCHEMBL462957 0.87 OPRK1 (0.37) OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 CDC7 3541/4885OPRK1 1/4885OPRM1 4/4885

“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.