SCHEMBL25863749

SCHEMBL25863749

CCC1(CC)CC(=O)c2cc(-c3cc(-c4ccc5c(c4)C=CC5)no3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ RXRA P19793 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
SCHEMBL23558395 0.84 ABCB1 (0.38) ABCB1ABCC1CNR1CNR2S1PR1
SCHEMBL23558461 0.83 NPC1 (0.45) ABCB1ABCC1CNR1CNR2
SCHEMBL25856900 0.82 MAOB (0.43) ABCB1ABCC1CNR1CNR2
SCHEMBL25856817 0.80 CNR1 (0.32) CNR1CNR2
SCHEMBL25863238 0.79 CXCR1 (0.40) ABCB1ABCC1CNR1CNR2S1PR1
SCHEMBL23558238 0.79 ALDH1A1 (0.45) —
SCHEMBL25856949 0.79 CNR1 (0.41) ABCB1ABCC1CNR1CNR2S1PR1
SCHEMBL25856856 0.79 NPC1 (0.43) ABCB1ABCC1CNR1CNR2
SCHEMBL25856895 0.78 RAB9A (0.42) ABCB1ABCC1CNR1CNR2
SCHEMBL23558404 0.76 ABCB1 (0.51) ABCB1ABCC1CNR1CNR2S1PR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 (1 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ABCB1 3052/4885ABCC1 2927/4885CNR1 20/4885

“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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