SCHEMBL17776378

SCHEMBL17776378

CN(C(=O)C(c1ccccc1)c1ccccc1)C(CN1CCCC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.70
OPRM1 P35372 1/20 0.70
OPRD1 P41143 1/20 0.70
CYP2D6 P10635 3/20 0.68
CYP3A4 P08684 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68

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
SCHEMBL5629611 1.00 OPRK1 (0.70) OPRK1OPRM1OPRD1CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL8007624 0.99 OPRK1 (0.68) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8717586 0.94 OPRK1 (0.63) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8719812 0.93 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8722006 0.93 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8717441 0.93 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8719889 0.89 OPRK1 (0.59) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL16339590 0.88 OPRK1 (0.67) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL17765025 0.88 OPRK1 (0.67) OPRK1OPRM1OPRD1CYP2D6CYP3A4
SCHEMBL8716972 0.87 OPRK1 (0.56) OPRK1OPRM1OPRD1CYP2D6CYP3A4

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 9 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-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-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 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 OPRK1 1/4885OPRM1 3/4885OPRD1 2/4885
US-20190352291-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885OPRD1 2/4885
US-11111214-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885OPRD1 2/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 OPRK1 1/4885OPRM1 4/4885OPRD1 2/4885
US-10407416-B2 Kappa opioid agonists and uses thereof OPRK1, OPRD1, OPRL1 OPRK1 1/4885OPRM1 4/4885OPRD1 2/4885

“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.