SCHEMBL10130690

SCHEMBL10130690

CCOC(=O)CCN1CCc2cc(C#N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NOTUM Q6P988 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL22248030 0.80 NOTUM (0.66) MAPTNPC1RAB9ANOTUMKDM4E
SCHEMBL22005610 0.78 MAPT (0.42) MAPTNPC1MAPK1RAB9ANOTUM
SCHEMBL19510855 0.76 NOTUM (0.44) MAPTNPC1MAPK1RAB9ANOTUM
SCHEMBL25804451 0.76 MAPT (0.49) MAPTNPC1MAPK1RAB9ANOTUM
SCHEMBL17574049 0.76 HDAC1 (0.50) MAPTHDAC1HDAC8HDAC6DRD2
SCHEMBL5940278 0.75 NOTUM (0.43) MAPTNPC1MAPK1RAB9ANOTUM
SCHEMBL6856898 0.75 CYP4F2 (0.43) MAPTNPC1MAPK1RAB9ANOTUM
SCHEMBL21331595 0.73 CHRM2 (0.62) MAPTNOTUMKDM4EMEN1POLB
SCHEMBL5940440 0.72 NOTUM (0.62) MAPTNPC1RAB9ANOTUMKDM4E
SCHEMBL14050021 0.71 MAPT (0.64) MAPTNPC1MAPK1RAB9AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 MAPT 2930/4885NPC1 351/4885MAPK1 1124/4885

“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.