SCHEMBL21999211

SCHEMBL21999211

Nc1cccc2c1C(=O)c1cc(N3CCN4CCC3CC4)ccc1-2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
CHRNA1 P02708 5/20 0.49
CHRNB2 P17787 5/20 0.49
CHRNB4 P30926 5/20 0.49
CHRNA3 P32297 5/20 0.49
CHRNA4 P43681 5/20 0.49
CHRNA7 P36544 3/20 0.49
HTR3A P46098 2/20 0.49
ADORA2A P29274 1/20 0.39
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL21851632 0.87 CHRNA1 (0.58) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL22522388 0.86 KCNH2 (0.51) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL1793080 0.83 KCNH2 (0.62) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL21851605 0.83 CHRNA1 (0.49) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL21851607 0.82 KCNH2 (0.47) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL21851709 0.81 KCNH2 (0.50) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL22522390 0.76 KCNH2 (0.50) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL22522555 0.76 CHRNA1 (0.65) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL21851634 0.76 CHRNA1 (0.65) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL22522653 0.76 KCNH2 (0.50) KCNH2CHRNA1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147243-A1 LIGAND COMPOUND OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AND APPLICATION THEREOF BEIJING NORMAL UNIVERSITY (CN) 2020-05-14 US 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-20200147243-A1 LIGAND COMPOUND OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AND APPLICATION THEREOF CHRNA7, CHRNG, CHRNE KCNH2 269/4885CHRNA1 4/4885CHRNB2 16/4885

“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.