SCHEMBL16413293

SCHEMBL16413293

CN(C(=O)Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1)C(CN1CCCC1)c1cccc(OC(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.52
▸ CYP2D6 P10635 6/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ THPO P40225 1/20 0.52
▸ OPRM1 P35372 5/20 0.51
▸ OPRD1 P41143 5/20 0.51
▸ CHRM5 P08912 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP2C19 P33261 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ UTS2R Q9UKP6 1/20 0.49

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
SCHEMBL16413295 1.00 OPRK1 (0.52) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16413208 0.89 OPRK1 (0.58) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16413209 0.89 OPRK1 (0.58) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16412980 0.87 MAPT (0.40) MAPTTP53
SCHEMBL16412977 0.87 MAPT (0.40) MAPTTP53
SCHEMBL20554975 0.87 OPRK1 (0.65) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16413292 0.87 OPRK1 (0.65) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16412570 0.86 OPRK1 (0.58) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16412567 0.86 OPRK1 (0.58) OPRK1CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL16412403 0.74 HRH3 (0.42) MAPTALDH1A1TP53SMN1; SMN2

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 657/4885CYP3A4 734/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 641/4885CYP3A4 716/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 OPRK1 1/4885CYP2D6 641/4885CYP3A4 716/4885

“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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