SCHEMBL7040549

SCHEMBL7040549

C(=C1CCC2CCN1C2)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.41
ATM Q13315 2/20 0.41
CYP19A1 P11511 5/20 0.40
CYP11B2 P19099 5/20 0.40
CYP11B1 P15538 4/20 0.40
CHRNA7 P36544 3/20 0.40
MITF O75030 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
NSD2 O96028 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7040548 1.00 SMN1; SMN2 (0.51) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7045079 0.87 SMN1; SMN2 (0.52) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7045081 0.87 SMN1; SMN2 (0.52) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL701079 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL701080 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7039914 0.80 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7039917 0.80 SMN1; SMN2 (0.53) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7045516 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7045515 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL702722 0.75 SMN1; SMN2 (0.61) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045523-A1 Nicotinic cholinergic receptor antagonists SCHMITT JEFFREY DANIEL (US) 2003-03-06 US disclosed
US-6432975-B1 AROMATIC ALKYLENE AZOBICYCLIC COMPOUNDS AS NICOTINIC RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM DISORDER TREATMENT TARGACEPT, INC. 2002-08-13 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-20030045523-A1 Nicotinic cholinergic receptor antagonists CHRNG, CHRNB1, CHRNA1 SMN1; SMN2 2009/4885CHRNB2 9/4885CHRNA4 13/4885

“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.