SCHEMBL30355766

SCHEMBL30355766

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccncc4C)no3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 12/20 0.53
▸ S1PR3 Q99500 3/20 0.53
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NR1H4 Q96RI1 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL23524301 1.00 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9ANR1H4
SCHEMBL23524131 0.92 S1PR1 (0.44) S1PR1S1PR3NPC1RAB9ANR1H4
SCHEMBL30355527 0.92 S1PR1 (0.44) S1PR1S1PR3NPC1RAB9ANR1H4
SCHEMBL30355618 0.90 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9ACNR1
SCHEMBL23523935 0.90 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9ACNR1
SCHEMBL30355534 0.90 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9ACNR1
SCHEMBL23524434 0.90 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9ACNR1
SCHEMBL23523749 0.88 S1PR1 (0.44) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL30355606 0.88 S1PR1 (0.44) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL23523958 0.87 NR1H4 (0.50) S1PR1NPC1RAB9ANR1H4CNR1

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 S1PR1 1/4885S1PR3 3/4885NPC1 301/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885NPC1 311/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885NPC1 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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