SCHEMBL7501008

SCHEMBL7501008

Nc1nccn1Cc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
CYP11B1 P15538 1/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNA7 P36544 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL6639655 0.84 CHRNA7 (0.50) CHRNA7CYP2A6CYP1A2CYP2D6L3MBTL1
SCHEMBL1126356 0.82 HSD17B10 (0.51) ALDH1A1CYP11B1LMNACYP1A2CYP2D6
SCHEMBL7506108 0.81 BRD4 (0.45) CYP11B1LMNAL3MBTL1
SCHEMBL22180828 0.80 LMNA (0.60) ALDH1A1PKMCYP11B1CHRNB2CHRNA4
SCHEMBL19925311 0.80 CYP11B1 (0.50) ALDH1A1PKMCYP11B1CHRNB2CHRNA4
SCHEMBL7505740 0.79 LMNA (0.51) CHRNB2CHRNA4TLR7LMNAL3MBTL1
SCHEMBL28165452 0.76 CYP11B1 (0.46) ALDH1A1PKMCYP11B1CHRNB2CHRNA4
SCHEMBL7499950 0.75 LMNA (0.68) CHRNB2CHRNA4CHRNA7LMNAL3MBTL1
SCHEMBL7508654 0.74 MEN1 (0.51) ALDH1A1CYP11B1HTTLMNACYP2A6
SCHEMBL7510438 0.73 ALDH1A1 (0.64) ALDH1A1PKMCYP11B1CHRNB2CHRNA4

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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US claimed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP claimed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP 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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors CHRNA2, CHRNA7, CHRNB2 ALDH1A1 1878/4885PKM 3261/4885CYP11B1 99/4885

“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.