SCHEMBL3445492

SCHEMBL3445492

N#Cc1ccc2c(c1)C1CNCC21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.64
CHRNG P07510 1/20 0.64
CHRNB1 P11230 1/20 0.64
CHRNB2 P17787 1/20 0.64
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA4 P43681 1/20 0.64
CHRND Q07001 1/20 0.64
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
PNMT P11086 1/20 0.41
HTR2C P28335 5/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL4412259 0.78 CHRNB2 (1.00) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL5767352 0.78 CHRNB2 (0.81) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL6392186 0.77 CHRNB2 (0.78) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL4408107 0.77 CHRNB2 (0.97) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL12882856 0.76 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7399742 0.73 DRD2 (0.55) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL990779 0.73 DRD2 (0.55) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL912111 0.73 DRD2 (0.55) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8690633 0.72 DRD2 (0.54) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8904471 0.72 DRD2 (0.54) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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-7816356-B2 Aryl and heteroaryltetrahydrocyclobutapyrroles as nicotinic acetylcholine receptor ligands YOHANNES DANIEL 2010-10-19 US disclosed
US-20050182063-A1 Aryl and heteroaryltetrahydrocyclobutapyrroles as nicotinic acetylcholine receptor ligands YOHANNES DANIEL (US) 2005-08-18 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-20050182063-A1 Aryl and heteroaryltetrahydrocyclobutapyrroles as nicotinic acetylcholine receptor ligands OPRL1, OPRK1, CHRNB4 CHRNA1 20/4885CHRNG 19/4885CHRNB1 18/4885

“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.