SCHEMBL13966240

SCHEMBL13966240

Cc1ccccc1CNCCC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.62
▸ TP53 P04637 2/20 0.47
▸ HTT P42858 1/20 0.45
▸ SCN8A Q9UQD0 4/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CXCR4 P61073 1/20 0.40
▸ DNM1 Q05193 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4913105 0.84 CHRM2 (0.77) CHRM2TP53HTTSCN8ACA12
SCHEMBL4916612 0.82 CHRM2 (0.81) CHRM2TP53HTTCA12CA2
SCHEMBL4912089 0.82 CHRM2 (0.81) CHRM2TP53HTTCA12CA2
SCHEMBL5034679 0.82 CHRM2 (0.81) CHRM2TP53HTTCA12CA2
SCHEMBL13900508 0.81 CHRM2 (0.56) CHRM2TP53HTTHPGDALDH1A1
SCHEMBL17282103 0.80 CA12 (0.69) CA12CA2
SCHEMBL21799554 0.80 CHRM2 (0.40) CHRM2CA12CA2
SCHEMBL13965834 0.80 MPO (0.54) HTTSCN8ACA2HPGDMEN1
SCHEMBL40401 0.80 CHRM2 (0.69) CHRM2TP53HTTHPGDALDH1A1
SCHEMBL13965857 0.79 NPC1 (0.43) CHRM2HTTHPGDALDH1A1MEN1

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CHRM2 4242/4885TP53 3810/4885HTT 3795/4885

“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.

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