SCHEMBL30355671

SCHEMBL30355671

CCC1(CC)CC(=O)c2cc(-c3noc(-c4cncc(N)c4)n3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ S1PR1 P21453 9/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 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
SCHEMBL23524147 1.00 CNR1 (0.37) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23524254 0.96 S1PR1 (0.39) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23524217 0.89 S1PR1 (0.46) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23524195 0.89 CNR1 (0.37) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23524320 0.89 CNR1 (0.37) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23523985 0.87 CNR1 (0.38) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL30355403 0.87 CNR1 (0.38) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23523721 0.87 NPC1 (0.38) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL23524283 0.85 S1PR1 (0.51) CNR1CNR2S1PR1S1PR3NPC1
SCHEMBL30355746 0.85 S1PR1 (0.51) CNR1CNR2S1PR1S1PR3NPC1

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885S1PR1 1/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885S1PR1 1/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885S1PR1 1/4885

“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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