SCHEMBL2043397

SCHEMBL2043397

Fc1cncc(-n2nnc(-c3cccnc3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 4/20 0.73
CHRNB2 P17787 3/20 0.72
CHRNA5 P30532 3/20 0.72
CHRNA4 P43681 3/20 0.72
MAPT P10636 1/20 0.61
GRM5 P41594 9/20 0.58
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2035283 0.89 CHRNB2 (0.72) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2040629 0.86 NPC1 (0.51) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2036233 0.84 CHRNB2 (0.72) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2037812 0.84 CHRNB2 (0.72) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2035021 0.84 CHRNB2 (0.72) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2037687 0.82 CHRNB2 (0.68) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2035922 0.81 NPC1 (0.48) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2037580 0.80 NPC1 (0.46) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2039501 0.79 NPC1 (0.46) NPC1RAB9ACHRNB2CHRNA5CHRNA4
SCHEMBL2120823 0.79 CHRNB2 (0.61) NPC1RAB9ACHRNB2CHRNA5CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309792-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-12-06 US claimed
EP-2513087-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NeuroSearch A/S (DK) 2012-10-24 EP claimed
WO-2011073297-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NEUROSEARCH A/S (DK) 2011-06-23 WO claimed
US-20120309792-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-12-06 US disclosed
EP-2513087-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NeuroSearch A/S (DK) 2012-10-24 EP disclosed
WO-2011073297-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MOUDLATORS NEUROSEARCH A/S (DK) 2011-06-23 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-20120309792-A1 TETRAZOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA5, CHRNA7, CHRNA3 NPC1 3279/4885RAB9A 2992/4885CHRNB2 13/4885

“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.