SCHEMBL13630752

SCHEMBL13630752

OCOCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
HSD11B1 P28845 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRNA7 P36544 1/20 0.47
FDPS P14324 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2A6 P11509 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
SCHEMBL493020 0.87 CYP1A2 (0.56) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL27794086 0.85 CYP1A2 (0.54) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL29469530 0.85 HSD11B1 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL146442 0.85 HSD11B1 (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL13630753 0.83 CYP1A2 (0.52) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL16215605 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL774717 0.80 CHRNB2 (0.52) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4726906 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL9627390 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL12417092 0.79

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-7612097-B2 Method for producing bactericidal pyridine compound and bactericidal pyridine compound TAMA KAGAKU KOGYO CO., LTD. (JP) 2009-11-03 US disclosed
US-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound Kourai, Hiroki (JP) 2007-05-03 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-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound BLVRB, CBR3, TLR7 CHRNB2 4084/4885CHRNA4 4153/4885CHRM2 959/4885

“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.