SCHEMBL23523907

SCHEMBL23523907

CSc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C(C)C)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.52
RAB9A P51151 12/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HPGD P15428 6/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
GRM5 P41594 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 9/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 7/20 0.38
MAPT P10636 7/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
HSD17B10 Q99714 4/20 0.38
NFKB1 P19838 5/20 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
SCHEMBL30355356 1.00 NPC1 (0.52) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL23523805 0.86 NPC1 (0.46) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL23523971 0.85 BCHE (0.43) NPC1RAB9AHPGDHCAR3HCAR2
SCHEMBL30355457 0.85 NPC1 (0.53) NPC1RAB9AHPGDHCAR3HCAR2
SCHEMBL23524221 0.85 SMN1; SMN2 (0.53) NPC1RAB9AHPGDHCAR3HCAR2
SCHEMBL23524092 0.85 NPC1 (0.53) NPC1RAB9AHPGDHCAR3HCAR2
SCHEMBL30355404 0.85 SMN1; SMN2 (0.53) NPC1RAB9AHPGDHCAR3HCAR2
SCHEMBL23524178 0.83 RAB9A (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL23523870 0.83 HPGD (0.40) NPC1RAB9AHPGDHCAR3HCAR2
SCHEMBL23524407 0.83 SMN1; SMN2 (0.55) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1

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 NPC1 301/4885RAB9A 3056/4885CASP3 3079/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885CASP3 3091/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885CASP3 3079/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885CASP3 3079/4885

“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.