SCHEMBL16339449

SCHEMBL16339449

O=C(O)NC(C(=O)N1CCCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 2/20 0.48
MICA Q29983 2/20 0.48
RAET1L Q5VY80 2/20 0.48
EPHX2 P34913 1/20 0.48
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MTTP P55157 4/20 0.46
TACR1 P25103 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL21995109 0.93 F2 (0.52) F2F10PRSS1KMT2AKDM4E
SCHEMBL16333221 0.87 KLRK1 (0.39) KLRK1MICARAET1LF2F10
SCHEMBL20434114 0.87 USP9X (0.47) KLRK1MICARAET1LEPHX2F2
SCHEMBL20434113 0.87 USP9X (0.47) KLRK1MICARAET1LEPHX2F2
SCHEMBL16333491 0.86 SIGMAR1 (0.49) F2F10PRSS1KMT2ATACR1
SCHEMBL22617164 0.86 UTS2R (0.44) F2F10HPGDNPSR1ALDH1A1
SCHEMBL4941018 0.85 EPHX2 (0.49) KLRK1MICARAET1LEPHX2KMT2A
SCHEMBL4941013 0.85 EPHX2 (0.49) KLRK1MICARAET1LEPHX2KMT2A
SCHEMBL19883849 0.84 USP9X (0.48) KLRK1MICARAET1LEPHX2F2
SCHEMBL14966309 0.84 OPRK1 (0.56) KLRK1MICARAET1LF2F10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111214-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2021-09-07 US disclosed
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2019-11-21 US disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 US disclosed
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-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 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
EP-3013812-A2 KAPPA OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (US) 2016-05-04 EP disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 US disclosed
WO-2014210436-A2 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2014-12-31 WO 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 (7 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 KLRK1 1837/4885MICA 4137/4885RAET1L 3812/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 KLRK1 1820/4885MICA 4130/4885RAET1L 3798/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 KLRK1 2168/4885MICA 2204/4885RAET1L 4371/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 KLRK1 2261/4885MICA 2177/4885RAET1L 4377/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 KLRK1 1747/4885MICA 2730/4885RAET1L 3526/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 KLRK1 1747/4885MICA 2730/4885RAET1L 3526/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 KLRK1 1820/4885MICA 4130/4885RAET1L 3798/4885

“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.