SCHEMBL434660

SCHEMBL434660

COc1cccc(C(CN2CCCC2)NC(=O)C2(c3ccc4oc(=O)[nH]c4c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.45
ROCK1 Q13464 6/20 0.45
UGCG Q16739 1/20 0.40
SLC6A2 P23975 3/20 0.40
OPRK1 P41145 1/20 0.39
ALPL P05186 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
SCHEMBL434659 1.00 ROCK2 (0.45) ROCK2ROCK1UGCGSLC6A2OPRK1
SCHEMBL10083739 0.91 ROCK2 (0.37) ROCK2ROCK1UGCGOPRK1ALPL
SCHEMBL15385533 0.91 ROCK2 (0.37) ROCK2ROCK1UGCGOPRK1ALPL
SCHEMBL460483 0.89 CDC7 (0.39) ROCK2ROCK1OPRK1
SCHEMBL460484 0.89 CDC7 (0.39) ROCK2ROCK1OPRK1
SCHEMBL433021 0.89 TRPV1 (0.37) ROCK2ROCK1OPRK1
SCHEMBL433022 0.89 TRPV1 (0.37) ROCK2ROCK1OPRK1
SCHEMBL434875 0.89 TRPV1 (0.42) ROCK2ROCK1
SCHEMBL15385515 0.89 TRPV1 (0.42) ROCK2ROCK1
SCHEMBL435712 0.88 TRPV1 (0.36) ROCK2ROCK1SLC6A2OPRK1

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-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
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
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
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 ROCK2 1728/4885ROCK1 1088/4885UGCG 4752/4885

“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.