SCHEMBL30355602

SCHEMBL30355602

Cc1cnccc1-c1nc(-c2ccc3c(c2)nnn3C(C)C)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.43
S1PR3 Q99500 2/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AHR P35869 1/20 0.41
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 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
SCHEMBL23523812 1.00 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL30355751 0.92 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL23523930 0.92 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL23524158 0.92 NPC1 (0.41) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL23523887 0.87 S1PR1 (0.47) S1PR1NPC1RAB9AMEN1KMT2A
SCHEMBL30355687 0.87 S1PR1 (0.47) S1PR1NPC1RAB9AMEN1KMT2A
SCHEMBL23523805 0.86 NPC1 (0.46) S1PR1NPC1RAB9AMEN1KMT2A
SCHEMBL30355633 0.85 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL23524344 0.85 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL23524028 0.85 NPC1 (0.52) S1PR1NPC1RAB9AMEN1KMT2A

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 3/4885NPC1 301/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885NPC1 311/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885NPC1 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.