SCHEMBL433988

SCHEMBL433988

CS(=O)(=O)Nc1cccc(C2(C(=O)N[C@H](CN3CC[C@H](O)C3)c3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.52
CYP2D6 P10635 12/20 0.52
OPRM1 P35372 6/20 0.52
OPRD1 P41143 5/20 0.52

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
SCHEMBL434260 1.00 OPRK1 (0.52) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL10083020 0.91 OPRM1 (0.43) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL433020 0.90 OPRM1 (0.42) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL433697 0.89 OPRK1 (0.44) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL15380176 0.89 OPRM1 (0.42) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL15380174 0.89 OPRM1 (0.42) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL435629 0.88 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL10083993 0.88 OPRK1 (0.47) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL434628 0.87 OPRK1 (0.56) OPRK1CYP2D6OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL435597 0.86 DPP4 (0.43) OPRK1CYP2D6OPRM1OPRD1

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 1/4885CYP2D6 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.