SCHEMBL3445922

SCHEMBL3445922

O=[N+]([O-])c1ccc2c(c1)C1CNCC21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.66
CHRNA3 P32297 4/20 0.66
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HSP90AA1 P07900 1/20 0.44
ADRA2A P08913 1/20 0.42
PNMT P11086 1/20 0.42
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5768825 0.90 CHRNB4 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4NOS3
Hydrochloric Acid SCHEMBL6391714 0.89 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4NOS3
SCHEMBL29761230 0.79 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2062764 0.79 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5769693 0.79 CHRNB4 (0.82) CHRNB4CHRNA3CHRNB2CHRNA4NOS3
Hydrochloric Acid SCHEMBL6392984 0.78 CHRNB4 (0.82) CHRNB4CHRNA3CHRNB2CHRNA4NOS3
SCHEMBL2062444 0.78 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4LMNA
Hydrochloric Acid SCHEMBL4405952 0.78 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6391337 0.77 CHRNB4 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4LMNA
Hydrochloric Acid SCHEMBL6390312 0.76 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4LMNA

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 claimed
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 CHRNB4 3/4885CHRNA3 12/4885CHRNB2 7/4885

“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.