SCHEMBL17570433

SCHEMBL17570433

COc1cccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.76
CYP2D6 P10635 6/20 0.76
CYP3A4 P08684 2/20 0.76
TSHR P16473 2/20 0.76
CYP2C19 P33261 2/20 0.76
OPRD1 P41143 6/20 0.74
OPRM1 P35372 5/20 0.74
ALDH1A1 P00352 1/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
MAPK1 P28482 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
UTS2R Q9UKP6 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
SCHEMBL17570439 0.99 OPRK1 (0.74) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17570438 0.99 OPRK1 (0.74) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL8061920 0.87 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL8061918 0.87 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17570381 0.87 OPRK1 (1.00) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL9450338 0.86 OPRK1 (0.64) OPRK1CYP2D6OPRD1OPRM1
SCHEMBL17570393 0.86 OPRK1 (0.80) OPRK1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17570392 0.85 OPRK1 (0.97) OPRK1CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL17105736 0.85 OPRK1 (0.97) OPRK1CYP2D6CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL29543016 0.85 OPRK1 (0.97) 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-10167295-B2 Analgesic compounds and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-01 US disclosed
US-20160068541-A1 ANALGESIC COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 US disclosed
US-20160068541-A1 ANALGESIC COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-10 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-20160068541-A1 ANALGESIC COMPOUNDS AND METHODS OF USE OPRL1, OPRK1, ACHE OPRK1 2/4885CYP2D6 140/4885CYP3A4 378/4885
US-10167295-B2 Analgesic compounds and methods of use OPRL1, OPRK1, ACHE OPRK1 2/4885CYP2D6 140/4885CYP3A4 378/4885

“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.