SCHEMBL16413149

SCHEMBL16413149

N#Cc1ccc(Cn2c(=O)oc3ccc(CC(=O)N[C@H](CN4CCC(O)C4)c4ccccc4)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ CCR5 P51681 3/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ KMO O15229 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CDY1; CDY1B Q9Y6F8 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 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
SCHEMBL16413147 1.00 OPRK1 (0.43) OPRK1CYP2D6CCR5HRH3KMO
SCHEMBL16412467 0.94 OPRK1 (0.44) OPRK1CYP2D6CCR5KMOCHRM1
SCHEMBL16412470 0.94 OPRK1 (0.44) OPRK1CYP2D6CCR5KMOCHRM1
SCHEMBL16413287 0.85 OPRK1 (0.59) OPRK1CYP2D6
SCHEMBL16413285 0.85 OPRK1 (0.59) OPRK1CYP2D6
SCHEMBL16412315 0.84 OPRK1 (0.35) OPRK1CYP2D6CHRM1TP53MAPT
SCHEMBL20555286 0.84 OPRK1 (0.35) OPRK1CYP2D6CHRM1TP53MAPT
SCHEMBL16412318 0.84 OPRK1 (0.35) OPRK1CYP2D6CHRM1TP53MAPT
SCHEMBL16412673 0.84 MAPT (0.39) KMOCHRM1CDY1; CDY1BTP53MAPT
SCHEMBL16413065 0.83 OPRK1 (0.45) OPRK1CYP2D6CCR5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 — — US claimed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 — — US claimed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 — — US claimed
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 — — US disclosed
EP-2822928-B1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr Reddys Laboratories Ltd (IN) 2018-11-14 — — EP disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 — — US disclosed
US-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 — — US disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 — — US 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 (3 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-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 657/4885CCR5 224/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 641/4885CCR5 224/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 641/4885CCR5 224/4885

“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.

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