SCHEMBL23523901

SCHEMBL23523901

COc1ccncc1-c1nc(-c2ccc3c(c2)nnn3C(C)C)no1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
NPC1 O15118 9/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 7/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL23523887 0.92 S1PR1 (0.47) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23524121 0.92 POLB (0.44) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL30355687 0.92 S1PR1 (0.47) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23524158 0.87 NPC1 (0.41) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL30355396 0.87 SMN1; SMN2 (0.55) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23524407 0.87 SMN1; SMN2 (0.55) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL30355755 0.86 POLB (0.44) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23524335 0.86 POLB (0.44) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL23523812 0.85 S1PR1 (0.43) S1PR1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL30355602 0.85 S1PR1 (0.43) S1PR1NPC1SMN1; SMN2RAB9AMAPT

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 9 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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 (4 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 1/4885NPC1 301/4885SMN1; SMN2 1320/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885NPC1 311/4885SMN1; SMN2 619/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885NPC1 301/4885SMN1; SMN2 1320/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885NPC1 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.