SCHEMBL23523971

SCHEMBL23523971

CC(C)n1nnc2cc(-c3noc(-c4ccccc4N)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HPGD P15428 4/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
GRM5 P41594 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
HSD17B10 Q99714 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
SMN1; SMN2 Q16637 8/20 0.38
TP53 P04637 8/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 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
SCHEMBL23523805 0.88 NPC1 (0.46) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL23524092 0.87 NPC1 (0.53) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL30355404 0.87 SMN1; SMN2 (0.53) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL23524221 0.87 SMN1; SMN2 (0.53) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL30355457 0.87 NPC1 (0.53) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL23523870 0.85 HPGD (0.40) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL23524407 0.85 SMN1; SMN2 (0.55) HPGDHSD17B10MEN1KMT2AALDH1A1
SCHEMBL23523907 0.85 NPC1 (0.52) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL23524178 0.85 RAB9A (0.41) HPGDHCAR3HCAR2GRM5HSD17B10
SCHEMBL30355356 0.85 NPC1 (0.52) HPGDHCAR3HCAR2GRM5HSD17B10

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 BCHE 4077/4885ACHE 2835/4885HPGD 3374/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 BCHE 1266/4885ACHE 1203/4885HPGD 2590/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 BCHE 4077/4885ACHE 2835/4885HPGD 3374/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 BCHE 4077/4885ACHE 2835/4885HPGD 3374/4885

“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.