SCHEMBL23524345

SCHEMBL23524345

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.42
S1PR3 Q99500 2/20 0.42
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23523770 0.85 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL30355450 0.85 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL30355633 0.79 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL23524055 0.79 NPC1 (0.48) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30355601 0.79 NPC1 (0.48) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23524344 0.79 S1PR1 (0.43) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL23523818 0.77 S1PR1 (0.42) S1PR1S1PR3NPC1RAB9AKDM4E
SCHEMBL23523735 0.74 GRM5 (0.55) S1PR1S1PR3NPC1RAB9ATSHR
SCHEMBL23524305 0.73 GRM5 (0.36) S1PR1S1PR3NPC1RAB9A
SCHEMBL23523967 0.72 GRM5 (0.58) S1PR1S1PR3NPC1RAB9ATSHR

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 6 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-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

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.