SCHEMBL16413402

SCHEMBL16413402

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.50
▸ CD74 P04233 5/20 0.50
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL16413401 1.00 MIF (0.50) MIFCD74MAPTTP53POLB
SCHEMBL16412405 0.91 HRH3 (0.42) MIFCD74MAPTTP53POLB
SCHEMBL16412403 0.91 HRH3 (0.42) MIFCD74MAPTTP53POLB
SCHEMBL16412755 0.88 CYP2D6 (0.44) MIFCD74MAPTTP53POLB
SCHEMBL16412436 0.87 MIF (0.46) MIFCD74MAPTPOLBSIGMAR1
SCHEMBL16412435 0.87 MIF (0.46) MIFCD74MAPTPOLBSIGMAR1
SCHEMBL16419244 0.87 MIF (0.45) MIFCD74MAPTTP53POLB
SCHEMBL16413016 0.86 MIF (0.42) MIFCD74MAPTTP53POLB
SCHEMBL16413014 0.86 MIF (0.42) MIFCD74MAPTTP53POLB
SCHEMBL16412977 0.86 MAPT (0.40) MIFCD74MAPTTP53POLB

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 MIF 3417/4885CD74 4409/4885MAPT 3906/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 MIF 3441/4885CD74 4421/4885MAPT 3911/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 MIF 3441/4885CD74 4421/4885MAPT 3911/4885

“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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