SCHEMBL30355372

SCHEMBL30355372

Cc1ccccc1-c1nc(-c2ccc3c(ccn3C(C)C)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.49
RAB9A P51151 11/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
AHR P35869 1/20 0.49
S1PR1 P21453 2/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
MAPT P10636 4/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
HSD17B10 Q99714 3/20 0.45
PKM P14618 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL23524328 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL25856984 0.91 NPC1 (0.54) NPC1RAB9ASMN1; SMN2S1PR1MEN1
SCHEMBL23523946 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL30355707 0.87 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL30355517 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23524341 0.87 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23523738 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL30355360 0.85 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL23524352 0.85 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL30355387 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EHPGD

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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

“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.