SCHEMBL16412930

SCHEMBL16412930

COC(=O)Cc1ccc2c(c1)N(C)C(=O)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HTR7 P34969 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CTSC P53634 7/20 0.40
CTSK P43235 2/20 0.39
PDK2 Q15119 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSG P08311 2/20 0.38
CMA1 P23946 2/20 0.38
POLB P06746 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
SCHEMBL20424924 0.89 HTR7 (0.46) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL15270617 0.84 KDM4E (0.46) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL23639168 0.79 CTSC (0.40) ALDH1A1GAACTSCCTSKPOLB
SCHEMBL17316278 0.77 KMT2A (0.45) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL8254393 0.76 CTSC (0.40) MAPTALDH1A1GAACTSCCTSK
SCHEMBL13449500 0.76 SMN1; SMN2 (0.47) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL22757174 0.75 SMN1; SMN2 (0.60) MAPTHPGDALDH1A1GAASMN1; SMN2
SCHEMBL16412888 0.75 SMN1; SMN2 (0.46) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL24221620 0.75 POLB (0.41) CTSCCTSKPOLB
SCHEMBL16412890 0.74 SMN1; SMN2 (0.45) MAPTHPGDTSHRALDH1A1GAA

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 11 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 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-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US 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-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 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
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 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 MAPT 3906/4885HPGD 957/4885TSHR 679/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 MAPT 3911/4885HPGD 941/4885TSHR 670/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 MAPT 3911/4885HPGD 941/4885TSHR 670/4885

“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.