SCHEMBL16413290

SCHEMBL16413290

O=C(Cc1ccc2oc(=O)n(Cc3cccc(-c4nn[nH]n4)c3)c2c1)N[C@H](CN1CCC(O)C1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.36
▸ CTSD P07339 5/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ MIF P14174 2/20 0.35
▸ CD74 P04233 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ AKT1 P31749 2/20 0.34
▸ AKT2 P31751 2/20 0.34
▸ AKT3 Q9Y243 2/20 0.34

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
SCHEMBL16413288 1.00 OPRK1 (0.36) OPRK1CTSDCHRM1FAAHPPARG
SCHEMBL16419262 1.00 OPRK1 (0.36) OPRK1CTSDCHRM1FAAHPPARG
SCHEMBL20555110 1.00 OPRK1 (0.36) OPRK1CTSDCHRM1FAAHPPARG
SCHEMBL16413279 0.87 OPRK1 (0.47) OPRK1
SCHEMBL16413278 0.87 OPRK1 (0.47) OPRK1
SCHEMBL16419259 0.87 OPRK1 (0.47) OPRK1
SCHEMBL20555286 0.83 OPRK1 (0.35) OPRK1CHRM1MIFCD74TP53
SCHEMBL16412318 0.83 OPRK1 (0.35) OPRK1CHRM1MIFCD74TP53
SCHEMBL16412315 0.83 OPRK1 (0.35) OPRK1CHRM1MIFCD74TP53
SCHEMBL16412470 0.83 OPRK1 (0.44) 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 1/4885CTSD 3978/4885CHRM1 81/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 OPRK1 1/4885CTSD 3993/4885CHRM1 78/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 OPRK1 1/4885CTSD 3993/4885CHRM1 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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