SCHEMBL433098

SCHEMBL433098

CS(=O)(=O)NCc1cccc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.55
CYP2D6 P10635 6/20 0.55
OPRM1 P35372 4/20 0.55
OPRD1 P41143 4/20 0.55
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
KCNK3 O14649 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL15380395 1.00 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL10083355 0.91 OPRK1 (0.56) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL434359 0.91 OPRK1 (0.56) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL434628 0.88 OPRK1 (0.56) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL459795 0.87 OPRK1 (0.39) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL15380374 0.87 OPRK1 (0.39) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL10083993 0.85 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL435629 0.85 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1NPC1
SCHEMBL10083283 0.85 KCNK3 (0.42) OPRK1CYP2D6OPRM1OPRD1NPC1
Hydrochloric Acid SCHEMBL15380169 0.84 KCNK3 (0.42) OPRK1CYP2D6OPRM1OPRD1NPC1

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 1/4885CYP2D6 697/4885OPRM1 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.