SCHEMBL3453316

SCHEMBL3453316

CCOC(=O)N1C2CCC1CC(N1CCN(c3ccc(C(C)=O)cn3)CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
CHRM1 P11229 6/20 0.46
USP30 Q70CQ3 2/20 0.45
P2RY12 Q9H244 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3453871 0.91 HRH3 (0.58) HRH3SMN1; SMN2HPGDCHRM1USP30
SCHEMBL3453713 0.86 HRH3 (0.54) HRH3SMN1; SMN2PPARGPPARAMAPT
SCHEMBL3452741 0.84 SMN1; SMN2 (0.68) HRH3SMN1; SMN2HPGDMAPT
SCHEMBL3454291 0.84 PANK3 (0.49) HRH3SMN1; SMN2HPGDCHRM1USP30
SCHEMBL6117792 0.83 HRH3 (0.66) HRH3SMN1; SMN2MAPT
SCHEMBL19601033 0.78 HRH3 (0.56) HRH3SMN1; SMN2PPARGPPARAMAPT
SCHEMBL19600751 0.78 HRH3 (0.56) HRH3SMN1; SMN2PPARGPPARAMAPT
SCHEMBL326836 0.77 USP30 (0.62) HRH3USP30MAPT
SCHEMBL5197024 0.76 CHRM1 (0.44) CHRM1
SCHEMBL3452878 0.76 CHRM1 (0.48) HRH3SMN1; SMN2CHRM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US claimed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US claimed
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP claimed
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US claimed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO claimed
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 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 (2 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-20100105693-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HRH3 138/4885SMN1; SMN2 3945/4885HPGD 1606/4885
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain ACHE, CHRM5, CHRM3 HRH3 240/4885SMN1; SMN2 1881/4885HPGD 201/4885

“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.