SCHEMBL25864786

SCHEMBL25864786

Oc1cc(-c2nnc(-c3ccc4c(c3)C=CC4)o2)ccc1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
S1PR1 P21453 3/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
XDH P47989 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL25864791 0.86 SNCA (0.40) SNCAS1PR1KCNH2MEN1KMT2A
SCHEMBL25864792 0.84 SNCA (0.39) SNCAS1PR1KCNH2MEN1KMT2A
SCHEMBL25864815 0.80 SNCA (0.39) SNCAPTPN1
SCHEMBL23558604 0.74 QPCT (0.40) SNCA
SCHEMBL25857011 0.71 MAPK14 (0.33) S1PR1KDM4EALDH1A1RAB9ANPC1
SCHEMBL23558185 0.66
SCHEMBL25857014 0.64 SPHK2 (0.39) S1PR1KCNH2MEN1KMT2AKDM4E
SCHEMBL25857016 0.63 S1PR1 (0.35) S1PR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19639400 0.63 RARA (0.49) MEN1KMT2AXDHKDM4EALDH1A1
SCHEMBL15968947 0.62 ESR2 (0.45)

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 SNCA 2550/4885HTR2A 379/4885HTR2C 734/4885

“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.