SCHEMBL2608908

SCHEMBL2608908

CC(C)COCCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP2A6 P11509 1/20 0.46
HRH1 P35367 2/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2608878 0.90 TDP1 (0.54) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL2098501 0.88 TDP1 (0.55) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL2608867 0.83 CHRM2 (0.48) CHRNA7L3MBTL1TDP1CHRNB2CHRNA4
SCHEMBL24925632 0.81 TDP1 (0.58) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL22161582 0.79 L3MBTL1 (0.61) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL12793983 0.79 CHRNA7 (0.52) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL58302 0.78 AOC3 (0.43) NPC1RAB9A
SCHEMBL13798116 0.78 TDP1 (0.54) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL4812510 0.77 CHRNA7 (0.53) CHRNA7L3MBTL1TDP1CYP2A6HRH1
SCHEMBL273379 0.77 CHRNA7 (0.57) CHRNA7L3MBTL1TDP1CYP2A6HRH1

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-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CHRNA7 4092/4885L3MBTL1 2460/4885TDP1 1324/4885

“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.