SCHEMBL4535841

SCHEMBL4535841

c1cnc2nc(C3CCCN3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.57
CHRNA4 P43681 3/20 0.57
CHRNA7 P36544 3/20 0.44
HTR3A P46098 1/20 0.44
AURKA O14965 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43

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
SCHEMBL29813789 1.00 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7HTR3AAURKA
SCHEMBL28901281 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7HTR3ACYP2C19
SCHEMBL28901276 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7HTR3ACYP2C19
SCHEMBL12649101 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7HTR3ACYP2C19
SCHEMBL7851250 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL7842456 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
Hydrochloric Acid SCHEMBL7842697 0.71 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
Hydrochloric Acid SCHEMBL7850658 0.71 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
Hydrochloric Acid SCHEMBL8177269 0.71 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CHRM5CHRM3
SCHEMBL24473907 0.71 NPC1 (0.43) CHRNA7HTR3AGABRPGABRDGABRA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 US disclosed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 EP disclosed
WO-2007077186-A1 PDF INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 CHRNB2 4884/4885CHRNA4 4881/4885CHRNA7 4885/4885

“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.