SCHEMBL17776355

SCHEMBL17776355

CN(C(=O)Cc1ccccc1)C(c1ccccc1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.64
CYP2D6 P10635 7/20 0.64
CYP3A4 P08684 2/20 0.64
TSHR P16473 2/20 0.64
CYP2C19 P33261 2/20 0.64
OPRM1 P35372 4/20 0.52
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
OPRD1 P41143 5/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 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
SCHEMBL17776361 1.00 OPRK1 (0.64) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17776362 0.92 OPRK1 (0.56) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17776352 0.85 OPRD1 (0.70) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17776353 0.85 OPRD1 (0.70) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL19591052 0.80 OPRK1 (0.54) OPRK1CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL29543016 0.80 OPRK1 (0.97) OPRK1CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL17105736 0.80 OPRK1 (0.97) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL19591150 0.80 OPRK1 (0.54) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL8061920 0.78 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL8061918 0.78 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 OPRK1 1/4885CYP2D6 322/4885CYP3A4 392/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 OPRK1 1/4885CYP2D6 371/4885CYP3A4 493/4885

“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.