SCHEMBL104979

SCHEMBL104979

CC(C)c1ccc(NCC2CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
KMT2A Q03164 1/20 0.43
AXL P30530 1/20 0.43
USP1 O94782 1/20 0.43
WDR48 Q8TAF3 1/20 0.43
GRIN2B Q13224 1/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL23993618 0.87 EPHX1 (0.51) CARM1PRMT6EPHX1EPHX2MEN1
SCHEMBL178449 0.82 CARM1 (0.46) CARM1PRMT6AXLUSP1WDR48
SCHEMBL178537 0.82 CARM1 (0.50) CARM1PRMT6HTR2AHTR2CAXL
SCHEMBL13438910 0.79 EPHX1 (0.46) CARM1PRMT6EPHX1EPHX2MEN1
SCHEMBL11935221 0.79 EPHX1 (0.46) CARM1PRMT6EPHX1EPHX2MEN1
SCHEMBL13941100 0.79 CARM1 (0.40) CARM1PRMT6MEN1MITFKMT2A
SCHEMBL13965745 0.79 CHEK1 (0.42) CARM1PRMT6EPHX2AXLUSP1
SCHEMBL2056107 0.77 HTR2A (0.48) CARM1PRMT6HTR2AHTR2CEPHX2
SCHEMBL12090016 0.76 NAMPT (0.58) EPHX1EPHX2MEN1KMT2AKDM4E
SCHEMBL18466042 0.76 HRH4 (0.48) AXLUSP1WDR48GRIN2B

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CARM1 1278/4885PRMT6 784/4885HTR2A 3197/4885

“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.