SCHEMBL17776352

SCHEMBL17776352

CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(c1ccccc1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.70
OPRM1 P35372 2/20 0.70
OPRK1 P41145 2/20 0.70
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
UTS2R Q9UKP6 1/20 0.70

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
SCHEMBL17776353 1.00 OPRD1 (0.70) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL17776355 0.85 OPRK1 (0.64) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL17776361 0.85 OPRK1 (0.64) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL17776360 0.84 OPRD1 (0.56) OPRD1OPRM1OPRK1ALDH1A1TP53
Ici-199,441 SCHEMBL7062272 0.84 OPRD1 (0.98) OPRD1OPRM1OPRK1ALDH1A1TP53
Ici-199,441 SCHEMBL7647023 0.84 OPRD1 (0.98) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL17776362 0.83 OPRK1 (0.56) OPRD1OPRM1OPRK1ALDH1A1TP53
Ici-199,441 SCHEMBL6639282 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1ALDH1A1TP53
Ici-199,441 SCHEMBL7640991 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1ALDH1A1TP53
SCHEMBL17570385 0.81 OPRD1 (0.98) OPRD1OPRM1OPRK1ALDH1A1TP53

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-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
US-10407416-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2019-09-10 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 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 (5 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-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRD1 2/4885OPRM1 3/4885OPRK1 1/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRD1 2/4885OPRM1 3/4885OPRK1 1/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 OPRD1 2/4885OPRM1 3/4885OPRK1 1/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 4/4885OPRK1 1/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 OPRD1 2/4885OPRM1 4/4885OPRK1 1/4885

“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.