SCHEMBL25856331

SCHEMBL25856331

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccccc4C)n[nH]3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ RAF1 P04049 2/20 0.37
▸ ACACB O00763 6/20 0.37
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PDE5A O76074 2/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ MAPK14 Q16539 3/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL23523958 0.82 NR1H4 (0.50) CNR1CNR2MAPT
SCHEMBL30355837 0.82 NR1H4 (0.50) CNR1CNR2MAPT
SCHEMBL25856896 0.80 MAPT (0.45) CNR1CNR2MAPT
SCHEMBL25856843 0.76 CNR1 (0.40) CNR1CNR2GRIA1CACNG8MAPT
SCHEMBL25856856 0.76 NPC1 (0.43) CNR1CNR2ACACBMAPT
SCHEMBL25856668 0.76 CNR1 (0.40) CNR1CNR2ACACBGRIA1CACNG8
SCHEMBL25856939 0.75 CNR1 (0.40) CNR1CNR2ACACBMAPT
SCHEMBL25856972 0.75 CNR1 (0.40) CNR1CNR2GRIA1CACNG8MAPT
SCHEMBL25857476 0.74 CNR1 (0.39) CNR1CNR2ACACBMAPT
SCHEMBL23558451 0.73 NR1H4 (0.52) MAPT

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 2 patents. 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
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 CNR1 20/4885CNR2 38/4885RAF1 1120/4885

“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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