SCHEMBL23523770

SCHEMBL23523770

Cc1ccncc1-c1noc(-c2ccc3nnn(C(C)C)c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.43
S1PR3 Q99500 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK14 Q16539 1/20 0.40
CCNT1 O60563 6/20 0.38
CDK9 P50750 6/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
FGFR1 P11362 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38

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
SCHEMBL30355450 1.00 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AMAPK14
SCHEMBL23524344 0.92 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL30355633 0.92 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL30355456 0.86 NPC1 (0.51) S1PR1NPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL23524069 0.86 NPC1 (0.51) S1PR1NPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL23524345 0.85 S1PR1 (0.42) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL30355751 0.83 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AHPGD
SCHEMBL23523930 0.83 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AHPGD
SCHEMBL23524158 0.83 NPC1 (0.41) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL23524348 0.82 S1PR1 (0.39) S1PR1S1PR3NPC1RAB9AKDM4E

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 1/4885S1PR3 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
US-20210188826-A1 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.