SCHEMBL431741

SCHEMBL431741

CS(=O)(=O)Nc1cccc(C2(C(=O)NC(CN3CCCC3)c3cccc(O)c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.45
KCNK3 O14649 1/20 0.39
OPRM1 P35372 6/20 0.38
OPRD1 P41143 3/20 0.38
KCNH2 Q12809 2/20 0.38
PRMT5 O14744 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CYP2D6 P10635 1/20 0.35
MET P08581 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
SCHEMBL431740 1.00 OPRK1 (0.45) OPRK1KCNK3OPRM1OPRD1KCNH2
SCHEMBL435629 0.92 OPRK1 (0.47) OPRK1KCNK3OPRM1OPRD1KCNH2
SCHEMBL10083993 0.92 OPRK1 (0.47) OPRK1KCNK3OPRM1OPRD1KCNH2
SCHEMBL433041 0.90 ROCK2 (0.45) OPRK1KCNK3
SCHEMBL433040 0.90 ROCK2 (0.45) OPRK1KCNK3
SCHEMBL10083329 0.87 OPRK1 (0.43) OPRK1KCNK3OPRM1OPRD1KCNH2
SCHEMBL433067 0.87 MET (0.48) OPRK1KCNK3OPRM1OPRD1PRMT5
SCHEMBL433066 0.87 MET (0.48) OPRK1KCNK3OPRM1OPRD1PRMT5
SCHEMBL433924 0.87 OPRK1 (0.43) OPRK1KCNK3OPRM1OPRD1PRMT5
SCHEMBL433925 0.87 OPRK1 (0.43) OPRK1KCNK3OPRM1OPRD1PRMT5

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 10 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-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 OPRK1 1/4885KCNK3 172/4885OPRM1 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.