SCHEMBL2118901

SCHEMBL2118901

N#Cc1cccc(-c2nnn(-c3ccc(Cl)nc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.59
CHRNB2 P17787 3/20 0.58
CHRNA5 P30532 3/20 0.58
CHRNA4 P43681 3/20 0.58
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CLK4 Q9HAZ1 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
SCHEMBL2120644 0.86 CHRNB2 (0.67) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL2122060 0.86 GRM5 (0.59) GRM5CHRNB2CHRNA5CHRNA4RAB9A
Hydrochloric Acid SCHEMBL2120241 0.85 GRM5 (0.58) GRM5CHRNB2CHRNA5CHRNA4RAB9A
Hydrochloric Acid SCHEMBL3719278 0.85 CHRNB2 (0.66) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL2118966 0.81 CHRNB2 (0.61) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL2118957 0.81 CHRNB2 (0.82) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL2120823 0.76 CHRNB2 (0.61) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL2120903 0.76 CHRNB2 (0.61) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL2037946 0.76 CHRNB2 (0.72) GRM5CHRNB2CHRNA5CHRNA4RAB9A
SCHEMBL4703496 0.74 GRM5 (1.00) GRM5CHRNB2CHRNA5CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095056-A1 2,5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-04-19 US claimed
WO-2010106106-A1 2, 5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-09-23 WO claimed
US-20120095056-A1 2,5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-04-19 US disclosed
WO-2010106106-A1 2, 5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-09-23 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-20120095056-A1 2,5-DISUBSTITUTED TETRAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA5, CHRNA2, CHRNA7 GRM5 56/4885CHRNB2 8/4885CHRNA5 1/4885

“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.