SCHEMBL25856949

SCHEMBL25856949

CCc1ccccc1-c1cc(-c2ccc3c(c2)C(=O)CC(CC)(CC)O3)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ SCD5 Q86SK9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 2/20 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
SCHEMBL25856856 0.90 NPC1 (0.43) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL25856895 0.89 RAB9A (0.42) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL23558461 0.89 NPC1 (0.45) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL23558589 0.85 NPC1 (0.33) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL23558330 0.84 RAB9A (0.40) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL25856900 0.83 MAOB (0.43) CNR1CNR2NPC1RAB9AKMT2A
SCHEMBL23558238 0.81 ALDH1A1 (0.45) NPC1RAB9ACYP1A2SMN1; SMN2CXCR1
SCHEMBL25863238 0.81 CXCR1 (0.40) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL23558481 0.80 RAB9A (0.42) CNR1CNR2NPC1RAB9ACYP1A2
SCHEMBL25856883 0.79 S1PR1 (0.37) CNR1CNR2NPC1RAB9ACYP1A2

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 CNR1 20/4885CNR2 38/4885NPC1 301/4885

“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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