SCHEMBL25857098

SCHEMBL25857098

Cc1cccc2nc(-c3ccc(NCC(C)C)c(N)c3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CETP P11597 3/20 0.41
TLR7 Q9NYK1 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
CEPT1 Q9Y6K0 2/20 0.37
VSIR Q9H7M9 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
ACP1 P24666 1/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL23558391 0.88 TLR7 (0.37) NPC1RAB9ATLR7MAPTTP53
SCHEMBL25857064 0.85 NPC1 (0.45) NPC1RAB9ACETPMAPTTP53
SCHEMBL23558322 0.85 CETP (0.40) NPC1RAB9ACETPTLR7MAPT
SCHEMBL25857096 0.82 NPC1 (0.42) NPC1RAB9AMAPTTP53CEPT1
SCHEMBL23558405 0.79 ALDH1A1 (0.54) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL25857180 0.76 KDM6B (0.40) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL25857106 0.75 RAB9A (0.41) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL25857115 0.75 RAB9A (0.39) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL10219881 0.74 BCHE (0.52) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL25857103 0.74 MAPT (0.46) NPC1RAB9AMAPTTP53CEPT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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 (1 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 3056/4885CETP 350/4885

“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.