SCHEMBL434359

SCHEMBL434359

CS(=O)(=O)NCc1ccc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.56
OPRD1 P41143 5/20 0.56
OPRM1 P35372 4/20 0.56
CYP2D6 P10635 6/20 0.49
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL10083355 1.00 OPRK1 (0.56) OPRK1OPRD1OPRM1CYP2D6POLB
SCHEMBL15380395 0.91 OPRK1 (0.55) OPRK1OPRD1OPRM1CYP2D6POLB
SCHEMBL433098 0.91 OPRK1 (0.55) OPRK1OPRD1OPRM1CYP2D6POLB
SCHEMBL432352 0.87 OPRK1 (0.60) OPRK1OPRD1OPRM1CYP2D6
SCHEMBL433167 0.87 OPRK1 (0.42) OPRK1OPRD1OPRM1CYP2D6ALDH1A1
SCHEMBL10083352 0.87 OPRK1 (0.42) OPRK1OPRD1OPRM1CYP2D6ALDH1A1
SCHEMBL435448 0.87 CCR2 (0.43) OPRK1OPRD1OPRM1CYP2D6ALDH1A1
SCHEMBL10083346 0.87 CCR2 (0.43) OPRK1OPRD1OPRM1CYP2D6ALDH1A1
SCHEMBL435831 0.85 HSD11B1 (0.50) ALDH1A1KMT2AGPR88NPC1
SCHEMBL15385492 0.85 HSD11B1 (0.50) ALDH1A1KMT2AGPR88NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885OPRD1 3/4885OPRM1 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.