SCHEMBL19627108

SCHEMBL19627108

CCC1(C)CC2CC3c4sc5ccc(O)cc5c4CCN(C2)C31

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ESR1 P03372 5/20 0.33
▸ ESR2 Q92731 5/20 0.33
▸ TRPA1 O75762 4/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL19627121 0.87 SLC6A4 (0.39) SLC6A4OPRK1TRPA1TRPV1KDR
SCHEMBL19627118 0.79 SLC6A4 (0.40) SLC6A4OPRM1OPRK1TRPA1TRPV1
SCHEMBL17793495 0.77 SLC6A4 (0.63) SLC6A4OPRM1OPRK1CYP17A1CYP3A4
SCHEMBL26322891 0.76 SLC6A4 (0.54) SLC6A4OPRM1OPRK1ESR1ESR2
SCHEMBL19627106 0.72 SLC6A4 (0.39) SLC6A4OPRM1OPRK1TRPA1TRPV1
SCHEMBL26927698 0.69 TRPA1 (0.35) SLC6A4OPRM1OPRK1TRPA1TRPV1
SCHEMBL19627107 0.69 TRPA1 (0.31) SLC6A4OPRM1OPRK1TRPA1TRPV1
SCHEMBL19627114 0.68 CYP3A4 (0.41) SLC6A4OPRK1TRPA1TRPV1KDR
SCHEMBL19627132 0.68 SLC6A4 (0.31) SLC6A4
SCHEMBL19627101 0.68 TSHR (0.32) TRPA1TRPV1KDRCYP3A4

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-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 — — US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 — — US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 — — 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 (3 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-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 SLC6A4 323/4885OPRM1 1/4885OPRK1 4/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 SLC6A4 305/4885OPRM1 1/4885OPRK1 4/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 SLC6A4 323/4885OPRM1 1/4885OPRK1 4/4885

“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.

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