SCHEMBL2033604

SCHEMBL2033604

Fc1ccc(-c2nnn(-c3cccnc3)n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.72
CHRNA5 P30532 3/20 0.72
CHRNA4 P43681 3/20 0.72
NPC1 O15118 7/20 0.62
RAB9A P51151 6/20 0.62
MAPT P10636 3/20 0.51
GRM5 P41594 7/20 0.47

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
SCHEMBL2040507 0.89 NPC1 (0.73) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2036415 0.85 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2040551 0.84 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2035922 0.81 NPC1 (0.48) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL3752704 0.79 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2035283 0.78 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2120828 0.76 CHRNB2 (0.67) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2043397 0.76 NPC1 (0.73) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2040967 0.74 CHRNB2 (0.61) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2039061 0.74 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4NPC1RAB9A

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 CHRNB2 13/4885CHRNA5 1/4885CHRNA4 4/4885

“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.