SCHEMBL30355837

SCHEMBL30355837

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccccc4C)no3)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.50
▸ NPC1 O15118 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ S1PR1 P21453 5/20 0.44
▸ S1PR5 Q9H228 1/20 0.44

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
SCHEMBL23523958 1.00 NR1H4 (0.50) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL25856896 0.92 MAPT (0.45) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL23558451 0.91 NR1H4 (0.52) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL23523834 0.89 CNR1 (0.53) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL30355721 0.89 CNR1 (0.53) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL23523782 0.89 CASP3 (0.44) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL30355558 0.89 CASP3 (0.44) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL30355527 0.87 S1PR1 (0.44) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL23524131 0.87 S1PR1 (0.44) NR1H4NPC1SMN1; SMN2RAB9ATP53
SCHEMBL23523917 0.87 SMN1; SMN2 (0.55) NPC1SMN1; SMN2RAB9ATP53MAPT

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 NR1H4 730/4885NPC1 301/4885SMN1; SMN2 1320/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NR1H4 639/4885NPC1 311/4885SMN1; SMN2 619/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NR1H4 730/4885NPC1 301/4885SMN1; SMN2 1320/4885

“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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