SCHEMBL16412470

SCHEMBL16412470

N#Cc1cccc(Cn2c(=O)oc3ccc(CC(=O)N[C@H](CN4CCC(O)C4)c4ccccc4)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.44
▸ CYP2D6 P10635 5/20 0.44
▸ CHRM1 P11229 1/20 0.38
▸ MIF P14174 2/20 0.38
▸ CD74 P04233 1/20 0.38
▸ CCR3 P51677 1/20 0.37
▸ MCHR1 Q99705 3/20 0.37
▸ KMO O15229 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CCR5 P51681 1/20 0.36

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
SCHEMBL16412467 1.00 OPRK1 (0.44) OPRK1CYP2D6CHRM1MIFCD74
SCHEMBL16413149 0.94 OPRK1 (0.43) OPRK1CYP2D6CHRM1KMOCDY1; CDY1B
SCHEMBL16413147 0.94 OPRK1 (0.43) OPRK1CYP2D6CHRM1KMOCDY1; CDY1B
SCHEMBL16413145 0.90 MIF (0.41) OPRK1MIFCD74KMOCDY1; CDY1B
SCHEMBL16413146 0.90 MIF (0.41) OPRK1MIFCD74KMOCDY1; CDY1B
SCHEMBL16413646 0.85 OPRK1 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL16412739 0.85 OPRK1 (0.58) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL20555110 0.83 OPRK1 (0.36) OPRK1CHRM1MIFCD74
SCHEMBL16413290 0.83 OPRK1 (0.36) OPRK1CHRM1MIFCD74
SCHEMBL16413288 0.83 OPRK1 (0.36) OPRK1CHRM1MIFCD74

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 657/4885CHRM1 81/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 641/4885CHRM1 78/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 641/4885CHRM1 78/4885

“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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