SCHEMBL17793538

SCHEMBL17793538

CCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.63
▸ OPRM1 P35372 1/20 0.63
▸ OPRK1 P41145 1/20 0.63
▸ SIGMAR1 Q99720 3/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL29875855 1.00 SLC6A4 (0.63) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL29875858 1.00 SLC6A4 (0.63) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL17793541 0.93 SLC6A4 (0.62) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL17793544 0.92 SLC6A4 (0.54) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL17793471 0.91 SLC6A4 (0.53) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL17793522 0.91 SLC6A4 (0.52) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL17793526 0.89 SLC6A4 (0.51) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL19627105 0.89 SLC6A4 (0.50) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL19627103 0.88 SLC6A4 (0.49) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL17793542 0.87 SLC6A4 (0.48) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2

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 7 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-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-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
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 — — US disclosed
WO-2016086158-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-02 — — WO 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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