SCHEMBL19627135

SCHEMBL19627135

CCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC6A4 P31645 3/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19627139 0.89 KDM4E (0.31) —
SCHEMBL26323051 0.81 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19PIK3CAPIK3CG
SCHEMBL19627141 0.80 SLC6A4 (0.37) CYP1A2CYP3A4CYP2C19SLC6A4OPRM1
SCHEMBL19627118 0.73 SLC6A4 (0.40) CYP1A2CYP3A4CYP2C19SLC6A4OPRM1
SCHEMBL26323050 0.72 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19PIK3CAPIK3CG
SCHEMBL19627106 0.70 SLC6A4 (0.39) CYP1A2CYP3A4CYP2C19SLC6A4OPRM1
SCHEMBL19627136 0.69 KDM4E (0.31) —
SCHEMBL17793538 0.67 SLC6A4 (0.63) CYP1A2CYP3A4CYP2C19SLC6A4OPRM1
SCHEMBL29875858 0.67 SLC6A4 (0.63) CYP1A2CYP3A4CYP2C19SLC6A4OPRM1
SCHEMBL29875855 0.67 SLC6A4 (0.63) CYP1A2CYP3A4CYP2C19SLC6A4OPRM1

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 CYP1A2 376/4885CYP3A4 390/4885CYP2C19 818/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 CYP1A2 489/4885CYP3A4 511/4885CYP2C19 1074/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 CYP1A2 376/4885CYP3A4 390/4885CYP2C19 818/4885

“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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