SCHEMBL2040967

SCHEMBL2040967

Cc1ncccc1-c1nnn(-c2cccnc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA5 P30532 1/20 0.61
CHRNA4 P43681 1/20 0.61
RAB9A P51151 11/20 0.55
NPC1 O15118 10/20 0.55
MAPT P10636 4/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
GRM5 P41594 4/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL2036415 0.78 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL4698877 0.77 GRM5 (0.74) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL15597193 0.76 CHRNB2 (0.61) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL31747830 0.74 RAB9A (0.46) RAB9ANPC1MAPTPKMNFKB1
SCHEMBL2033604 0.74 CHRNB2 (0.72) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL2037688 0.72 NPC1 (0.67) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL4698820 0.72 CHRNB2 (0.61) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL2039061 0.72 CHRNB2 (0.74) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL3752704 0.71 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4RAB9ANPC1
SCHEMBL2037831 0.71 CHRNB2 (0.64) CHRNB2CHRNA5CHRNA4RAB9ANPC1

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.