SCHEMBL12417049

SCHEMBL12417049

COOCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CHRNA7 P36544 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
CYP2A6 P11509 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL445750 0.83
SCHEMBL29432703 0.83
SCHEMBL493020 0.79 CYP1A2 (0.56) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL10379094 0.77 CHRM2 (0.52) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
Hydrochloric Acid SCHEMBL27794086 0.77 CYP1A2 (0.54) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL774717 0.76 CHRNB2 (0.52) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL22520043 0.76 CHRM2 (0.51) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL12509540 0.75
SCHEMBL13630753 0.75 CYP1A2 (0.52) CHRNB2CHRNA4CYP1A2CYP2D6CHRM2
SCHEMBL18771715 0.75

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-8309733-B2 Imino derivatives, methods for producing the same and insecticides containing the same Meji Seika Pharma Co., Ltd. (JP) 2012-11-13 US disclosed
US-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA, LTD. (JP) 2011-07-14 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-20110172433-A1 NOVEL IMINO DERIVATIVES, METHODS FOR PRODUCING THE SAME AND INSECTICIDES CONTAINING THE SAME CNOT9, CBR1, CBR3 CHRNB2 333/4885CHRNA4 49/4885CYP1A2 126/4885

“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.