SCHEMBL23523929

SCHEMBL23523929

CC(C)n1ccc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
GRM5 P41594 1/20 0.48
PSMD11 O00231 1/20 0.46
TPH1 P17752 2/20 0.44
ATM Q13315 1/20 0.42
S1PR1 P21453 2/20 0.41
MAPT P10636 4/20 0.41
CXCR1 P25024 1/20 0.40
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 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
SCHEMBL25856395 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53S1PR1
SCHEMBL23524234 0.88 TP53 (0.53) NPC1RAB9ASMN1; SMN2TP53GRM5
SCHEMBL30355414 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53S1PR1
SCHEMBL23523934 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53S1PR1
SCHEMBL23523753 0.85 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TP53TPH1
SCHEMBL30355692 0.85 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TP53TPH1
SCHEMBL30355517 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL23523946 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL25856394 0.81 MAPT (0.56) NPC1RAB9ASMN1; SMN2TP53GRM5
SCHEMBL23523941 0.81 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53S1PR1

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 NPC1 301/4885RAB9A 3056/4885SMN1; SMN2 1320/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885SMN1; SMN2 619/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885SMN1; SMN2 1320/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885SMN1; SMN2 1320/4885

“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.