SCHEMBL433924

SCHEMBL433924

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
OPRD1 P41143 2/20 0.43
OPRM1 P35372 2/20 0.43
CHRM5 P08912 1/20 0.43
MAPT P10636 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT5 O14744 1/20 0.41
MET P08581 1/20 0.39
KCNK3 O14649 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
ADRB3 P13945 4/20 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
SCHEMBL433925 1.00 OPRK1 (0.43) OPRK1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL433067 0.91 MET (0.48) OPRK1CYP2D6OPRD1OPRM1PRMT5
SCHEMBL433066 0.91 MET (0.48) OPRK1CYP2D6OPRD1OPRM1PRMT5
SCHEMBL433041 0.90 ROCK2 (0.45) OPRK1KCNK3ROCK2ROCK1
SCHEMBL433040 0.90 ROCK2 (0.45) OPRK1KCNK3ROCK2ROCK1
SCHEMBL10083993 0.89 OPRK1 (0.47) OPRK1CYP2D6OPRD1OPRM1PRMT5
SCHEMBL435629 0.89 OPRK1 (0.47) OPRK1CYP2D6OPRD1OPRM1PRMT5
SCHEMBL431741 0.87 OPRK1 (0.45) OPRK1CYP2D6OPRD1OPRM1PRMT5
SCHEMBL431740 0.87 OPRK1 (0.45) OPRK1CYP2D6OPRD1OPRM1PRMT5
SCHEMBL435420 0.86 OPRK1 (0.45) OPRK1CYP1A2CYP3A4CYP2D6TSHR

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 OPRK1 1/4885CYP1A2 509/4885CYP3A4 770/4885

“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.