SCHEMBL19627130

SCHEMBL19627130

CCC1(C)CC2(C)CC3c4oc5ccc(C)cc5c4CCN(C2)C31

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL19627137 0.89 CYP1A2 (0.34) KDM4ECYP3A4
SCHEMBL19627101 0.80 TSHR (0.32) KDM4ECYP3A4CYP2D6THPOTSHR
SCHEMBL19627140 0.79 KDM4E (0.31) KDM4ECYP3A4CYP2D6THPOTSHR
SCHEMBL19627102 0.75 TRPA1 (0.31) KDM4ETSHR
SCHEMBL26323055 0.72 KDM4E (0.31) KDM4ETSHR
SCHEMBL17793592 0.69 SLC6A4 (0.41) KDM4ECYP3A4CYP2D6THPO
SCHEMBL26927609 0.68 CYP3A4 (0.33) CYP3A4CYP2D6THPO
SCHEMBL26323053 0.67 KDM4E (0.31) KDM4ETSHR
SCHEMBL19630692 0.67 SLC6A4 (0.42) KDM4ETSHR
SCHEMBL19627105 0.67 SLC6A4 (0.50) KDM4ETSHR

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 KDM4E 1197/4885CYP3A4 390/4885CYP2D6 480/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 KDM4E 1372/4885CYP3A4 511/4885CYP2D6 631/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 KDM4E 1197/4885CYP3A4 390/4885CYP2D6 480/4885

“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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