SCHEMBL30355725

SCHEMBL30355725

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccoc4)no3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ S1PR1 P21453 6/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ NPC1 O15118 6/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23524175 1.00 PPARA (0.37) PPARACNR1CNR2S1PR1ADORA2A
SCHEMBL23523716 0.86 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL30355571 0.86 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL23523871 0.85 MAPT (0.43) CNR1CNR2S1PR1NPC1RAB9A
SCHEMBL23524003 0.85 S1PR1 (0.47) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL30355403 0.85 CNR1 (0.38) CNR1CNR2S1PR1NPC1RAB9A
SCHEMBL23523985 0.85 CNR1 (0.38) CNR1CNR2S1PR1NPC1RAB9A
SCHEMBL23524197 0.85 CNR1 (0.48) CNR1CNR2NPC1RAB9AMAPT
SCHEMBL23523721 0.85 NPC1 (0.38) CNR1CNR2S1PR1NPC1RAB9A
SCHEMBL30355740 0.85 MAPT (0.43) CNR1CNR2S1PR1NPC1RAB9A

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 PPARA 638/4885CNR1 20/4885CNR2 38/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PPARA 575/4885CNR1 10/4885CNR2 13/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PPARA 638/4885CNR1 20/4885CNR2 38/4885

“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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