SCHEMBL10083020

SCHEMBL10083020

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRK1 P41145 9/20 0.42
CYP2D6 P10635 6/20 0.42
OPRD1 P41143 3/20 0.42
ACKR3 P25106 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNH2 Q12809 3/20 0.39
DPP4 P27487 1/20 0.38
CCR5 P51681 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
Trifluoroacetic Acid SCHEMBL435597 0.95 DPP4 (0.43) OPRM1OPRK1CYP2D6OPRD1ACKR3
SCHEMBL434260 0.91 OPRK1 (0.52) OPRM1OPRK1CYP2D6OPRD1
SCHEMBL433988 0.91 OPRK1 (0.52) OPRM1OPRK1CYP2D6OPRD1
SCHEMBL433020 0.89 OPRM1 (0.42) OPRM1OPRK1CYP2D6OPRD1ACKR3
SCHEMBL433697 0.89 OPRK1 (0.44) OPRM1OPRK1CYP2D6OPRD1ACKR3
SCHEMBL15380176 0.89 OPRM1 (0.42) OPRM1OPRK1CYP2D6OPRD1ACKR3
SCHEMBL15380174 0.89 OPRM1 (0.42) OPRM1OPRK1CYP2D6OPRD1ACKR3
SCHEMBL10083993 0.87 OPRK1 (0.47) OPRM1OPRK1CYP2D6OPRD1KCNK3
SCHEMBL435629 0.87 OPRK1 (0.47) OPRM1OPRK1CYP2D6OPRD1KCNK3
SCHEMBL15385506 0.84 CCR5 (0.45) OPRM1OPRK1CYP2D6OPRD1ACKR3

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 5 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 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
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 OPRM1 4/4885OPRK1 1/4885CYP2D6 697/4885

“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.