SCHEMBL19627128

SCHEMBL19627128

CC[C@@H]1Cc2c(oc3ccc(O)cc23)C2CC3CN1C2C(C)(CC)C3

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SLC6A4 P31645 2/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRK1 P41145 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
SCHEMBL26927642 0.91 PIK3CA (0.33) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19
SCHEMBL19627133 0.91 PIK3CA (0.33) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19
SCHEMBL19627124 0.90 — —
SCHEMBL19627118 0.81 SLC6A4 (0.40) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19
SCHEMBL19627194 0.80 CYP1A2 (0.32) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19
SCHEMBL19627129 0.80 TSHR (0.32) —
SCHEMBL19627127 0.80 TSHR (0.32) —
SCHEMBL17793521 0.80 CYP1A2 (0.33) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19
SCHEMBL19627113 0.80 CYP1A2 (0.33) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19
SCHEMBL19630899 0.80 CYP1A2 (0.33) PIK3CAPIK3CGCYP1A2CYP3A4CYP2C19

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 PIK3CA 4167/4885PIK3CG 3799/4885CYP1A2 376/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 PIK3CA 4394/4885PIK3CG 4119/4885CYP1A2 489/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 PIK3CA 4167/4885PIK3CG 3799/4885CYP1A2 376/4885

“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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