SCHEMBL30355528

SCHEMBL30355528

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cncc(F)c4)no3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA5 P30532 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 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
SCHEMBL23523854 1.00 S1PR1 (0.39) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23524195 0.96 CNR1 (0.37) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL30355746 0.89 S1PR1 (0.51) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23524283 0.89 S1PR1 (0.51) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL30355403 0.89 CNR1 (0.38) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523985 0.89 CNR1 (0.38) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL30355685 0.89 S1PR1 (0.39) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23524254 0.89 S1PR1 (0.39) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23524369 0.89 S1PR1 (0.39) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523751 0.88 S1PR1 (0.41) S1PR1S1PR3NPC1RAB9ACNR1

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 3/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885MAPT 3799/4885

“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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