SCHEMBL23523735

SCHEMBL23523735

Cc1ccncc1-c1noc(-c2ccc3c(c2)nnn3C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
S1PR1 P21453 9/20 0.43
S1PR3 Q99500 2/20 0.41
HCAR3 P49019 4/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CYP17A1 P05093 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 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
SCHEMBL23523967 0.96 GRM5 (0.58) GRM5S1PR1S1PR3HCAR3CYP11B1
SCHEMBL23524107 0.94 GRM5 (0.52) GRM5S1PR1S1PR3HCAR3CYP11B1
SCHEMBL30355591 0.94 GRM5 (0.52) GRM5S1PR1S1PR3HCAR3CYP11B1
SCHEMBL23523843 0.86 GRM5 (0.58) GRM5S1PR1HCAR3NPC1RAB9A
SCHEMBL30355772 0.86 GRM5 (0.58) GRM5S1PR1HCAR3NPC1RAB9A
SCHEMBL23523909 0.84 GRM5 (0.65) GRM5S1PR1S1PR3HCAR3NPC1
SCHEMBL23558253 0.83 S1PR1 (0.44) S1PR1S1PR3CYP11B1CYP11B2NPC1
SCHEMBL23524344 0.82 S1PR1 (0.43) GRM5S1PR1S1PR3HCAR3CYP11B1
SCHEMBL30355633 0.82 S1PR1 (0.43) GRM5S1PR1S1PR3HCAR3CYP11B1
SCHEMBL23524110 0.82 GRM5 (0.61) GRM5S1PR1HCAR3NPC1RAB9A

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 GRM5 456/4885S1PR1 1/4885S1PR3 3/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 71/4885S1PR1 1/4885S1PR3 3/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GRM5 456/4885S1PR1 1/4885S1PR3 3/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 456/4885S1PR1 1/4885S1PR3 3/4885

“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.