SCHEMBL7045512

SCHEMBL7045512

c1ccc(CCC(c2cccnc2)C2CC3CCN2CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
SLC1A2 P43004 3/20 0.41
SLC1A3 P43003 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
C3AR1 Q16581 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
SCHEMBL7045626 0.88 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4SLC1A2SLC1A3
SCHEMBL701677 0.78 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4
SCHEMBL7045082 0.78 MRGPRX1 (0.40) CHRNA7CHRNB2CHRNA4SLC1A2SLC1A3
SCHEMBL7046951 0.78 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4SLC1A2SLC1A3
SCHEMBL699428 0.74 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4GAA
SCHEMBL699738 0.71 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7484792 0.71 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7042420 0.68 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4
SCHEMBL7047419 0.68 MRGPRX1 (0.41) CHRNA7CHRNB2CHRNA4SLC1A2ALDH1A1
SCHEMBL24715110 0.67 CHRNB4 (0.43)

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 4 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
EP-1053236-A1 PYRDIYL-BRIIDGEHEAD DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-11-22 EP disclosed
WO-2000034276-A1 PYRIDYL-BRIDGEHEAD DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-06-15 WO 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 CHRNA7 11/4885CHRNB2 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.