SCHEMBL25864493

SCHEMBL25864493

Oc1ccccc1-c1noc(-c2ccc3c(c2)nnn3CC2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.52
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
GRM5 P41594 1/20 0.42
CHUK O15111 2/20 0.39
TXNRD1 Q16881 2/20 0.39
NOX4 Q9NPH5 2/20 0.39
NPC1 O15118 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL30355652 0.88 TDO2 (0.52) TDO2GRM5NPC1HSD17B10MAPT
SCHEMBL23523945 0.88 TDO2 (0.52) TDO2GRM5NPC1HSD17B10MAPT
SCHEMBL30355426 0.84 TDO2 (0.48) TDO2GRM5NPC1MAPTRAB9A
SCHEMBL23523779 0.84 TDO2 (0.48) TDO2GRM5NPC1MAPTRAB9A
SCHEMBL30355720 0.84 TDO2 (0.52) TDO2GRM5NPC1MAPTRAB9A
SCHEMBL23524081 0.84 TDO2 (0.52) TDO2GRM5NPC1MAPTRAB9A
SCHEMBL25864495 0.83 CASP3 (0.45) TDO2CASP3SENP8SENP7SENP6
SCHEMBL25863145 0.78 CASP3 (0.49) CASP3SENP8SENP7SENP6GRM5
SCHEMBL23524176 0.77 CASP3 (0.48) CASP3SENP8SENP7SENP6GRM5
SCHEMBL23523828 0.77 TDO2 (0.43) TDO2CASP3GRM5GRM2SGK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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 (1 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 4580/4885CASP3 3079/4885SENP8 3546/4885

“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.