SCHEMBL434157

SCHEMBL434157

COc1cccc([C@@H](CN2CCCC2)NC(=O)C2(c3ccc4[nH]nc(C)c4c3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.51
ROCK1 Q13464 12/20 0.51
SLC6A2 P23975 3/20 0.41
UGCG Q16739 1/20 0.40
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 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
SCHEMBL434156 1.00 ROCK2 (0.51) ROCK2ROCK1SLC6A2UGCGOPRK1
SCHEMBL433254 0.90 MAPK1 (0.42) ROCK2ROCK1
SCHEMBL433255 0.90 MAPK1 (0.42) ROCK2ROCK1
SCHEMBL15386630 0.89 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL432969 0.81 OPRD1 (0.47) ROCK2ROCK1UGCGOPRK1MEN1
SCHEMBL10083354 0.81 OPRD1 (0.47) ROCK2ROCK1UGCGOPRK1MEN1
SCHEMBL21509798 0.81 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL434660 0.80 ROCK2 (0.45) ROCK2ROCK1SLC6A2UGCGOPRK1
SCHEMBL434659 0.80 ROCK2 (0.45) ROCK2ROCK1SLC6A2UGCGOPRK1
SCHEMBL433041 0.77 ROCK2 (0.45) ROCK2ROCK1SLC6A2UGCGOPRK1

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 7 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-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 1088/4885SLC6A2 798/4885

“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.