SCHEMBL23523932

SCHEMBL23523932

Cc1cccc2nc(-c3ccc4c(c3)nnn4C(C)C)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CETP P11597 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK14 Q16539 1/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ELANE P08246 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL23524198 0.87 HPGD (0.41) HPGDHCAR3HCAR2NPC1RAB9A
SCHEMBL20587511 0.85 NPC1 (0.44) HPGDHCAR3HCAR2NPC1ALDH1A1
SCHEMBL23523972 0.83 RAB9A (0.39) HPGDNPC1RAB9ACETPALDH1A1
SCHEMBL23524133 0.83 HPGD (0.41) HPGDHCAR3HCAR2NPC1RAB9A
SCHEMBL23558504 0.82 NPC1 (0.49) HPGDHCAR3HCAR2NPC1RAB9A
SCHEMBL23084683 0.79 HCAR3 (0.46) HPGDHCAR3HCAR2ALDH1A1SMN1; SMN2
SCHEMBL23523997 0.79 HPGD (0.44) HPGDHCAR3HCAR2NPC1RAB9A
SCHEMBL23524096 0.78 NPC1 (0.52) HPGDHCAR3HCAR2NPC1RAB9A
SCHEMBL23524093 0.78 ALDH1A1 (0.57) HPGDHCAR3HCAR2NPC1RAB9A
SCHEMBL23524140 0.77 HPGD (0.44) HPGDHCAR3HCAR2NPC1RAB9A

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 HPGD 3374/4885HCAR3 291/4885HCAR2 286/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 HPGD 2590/4885HCAR3 203/4885HCAR2 80/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HPGD 3374/4885HCAR3 291/4885HCAR2 286/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HPGD 3374/4885HCAR3 291/4885HCAR2 286/4885

“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.