SCHEMBL30355740

SCHEMBL30355740

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(O)cc4)no3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ TPH1 P17752 4/20 0.42
▸ NPC1 O15118 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ S1PR1 P21453 2/20 0.36

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
SCHEMBL23523871 1.00 MAPT (0.43) MAPTTPH1NPC1SMN1; SMN2PKM
SCHEMBL23558439 0.95 TPH1 (0.42) MAPTTPH1NPC1SMN1; SMN2PKM
SCHEMBL23558412 0.90 TPH1 (0.42) MAPTTPH1NPC1SMN1; SMN2PKM
SCHEMBL30355571 0.90 NPC1 (0.43) MAPTNPC1SMN1; SMN2PKMNFKB1
SCHEMBL23523716 0.90 NPC1 (0.43) MAPTNPC1SMN1; SMN2PKMNFKB1
SCHEMBL23523878 0.90 TPH1 (0.43) MAPTTPH1NPC1SMN1; SMN2PKM
SCHEMBL30355380 0.90 TPH1 (0.43) MAPTTPH1NPC1SMN1; SMN2PKM
SCHEMBL23523721 0.89 NPC1 (0.38) MAPTNPC1SMN1; SMN2PKMHSD17B10
SCHEMBL23524003 0.89 S1PR1 (0.47) MAPTNPC1SMN1; SMN2HSD17B10NFKB1
SCHEMBL23524197 0.89 CNR1 (0.48) MAPTNPC1SMN1; SMN2PKMRAB9A

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 MAPT 3799/4885TPH1 786/4885NPC1 301/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 1551/4885TPH1 374/4885NPC1 311/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885TPH1 786/4885NPC1 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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