SCHEMBL30355652

SCHEMBL30355652

Cc1ccccc1-c1noc(-c2ccc3c(c2)nnn3CC2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 6/20 0.52
S1PR1 P21453 2/20 0.48
S1PR5 Q9H228 1/20 0.48
NR1H4 Q96RI1 3/20 0.47
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL23523945 1.00 TDO2 (0.52) TDO2S1PR1S1PR5NR1H4NPC1
SCHEMBL25864493 0.88 TDO2 (0.52) TDO2S1PR1S1PR5NPC1SMN1; SMN2
SCHEMBL30355426 0.84 TDO2 (0.48) TDO2S1PR1NPC1SMN1; SMN2RAB9A
SCHEMBL23523779 0.84 TDO2 (0.48) TDO2S1PR1NPC1SMN1; SMN2RAB9A
SCHEMBL30355720 0.84 TDO2 (0.52) TDO2NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23524081 0.84 TDO2 (0.52) TDO2NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23524055 0.84 NPC1 (0.48) S1PR1S1PR5NR1H4NPC1SMN1; SMN2
SCHEMBL30355601 0.84 NPC1 (0.48) S1PR1S1PR5NR1H4NPC1SMN1; SMN2
SCHEMBL23523843 0.83 GRM5 (0.58) S1PR1S1PR5NR1H4NPC1SMN1; SMN2
SCHEMBL30355772 0.83 GRM5 (0.58) S1PR1S1PR5NR1H4NPC1SMN1; SMN2

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 TDO2 4580/4885S1PR1 1/4885S1PR5 4/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 TDO2 4264/4885S1PR1 1/4885S1PR5 4/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 TDO2 4580/4885S1PR1 1/4885S1PR5 4/4885

“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.