SCHEMBL13063110

SCHEMBL13063110

CC(C)(C)C1CNc2ccc(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AXL P30530 1/20 0.31

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
SCHEMBL13168986 0.86 CHRNB2 (0.39) CHRNB2CHRNA4KDM4EMEN1APAF1
SCHEMBL8931361 0.74 EPHX2 (0.35) MEN1GAAKMT2A
SCHEMBL29332787 0.74 EPHX2 (0.35) MEN1GAAKMT2A
SCHEMBL21316477 0.74 EPHX2 (0.35) MEN1GAAKMT2A
SCHEMBL13362026 0.73 CHRNB4 (0.46) CHRNB2CHRNA4MAPT
SCHEMBL4586631 0.70 EPHX2 (0.37) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL10066652 0.70 FDPS (0.32) CHRNB2CHRNA4
SCHEMBL5178587 0.70 CHRNB2 (0.37) CHRNB2CHRNA4MEN1GAAKMT2A
SCHEMBL20850872 0.68 DRD1 (0.43) CHRNB2CHRNA4KDM4EMEN1GAA
SCHEMBL24781668 0.67 DRD1 (0.39) CHRNB2CHRNA4KDM4EMEN1GAA

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-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 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 (2 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-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CHRNB2 1750/4885CHRNA4 2282/4885KDM4E 4235/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CHRNB2 1750/4885CHRNA4 2282/4885KDM4E 4235/4885

“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.