SCHEMBL3612971

SCHEMBL3612971

CCOC(=O)N1C2CCC1CC(CN1CCN(c3nccnc3C#N)CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.42
KCNH2 Q12809 6/20 0.42
CHRM4 P08173 5/20 0.42
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
CHRM5 P08912 1/20 0.36
KCNJ1 P48048 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5197445 0.87 MAPT (0.42) CHRM1CHRM4MAPTKDM4EMEN1
SCHEMBL3452456 0.86 HSD11B1 (0.49) CHRM1KCNH2CHRM4MAPTKDM4E
SCHEMBL5197429 0.73 MEN1 (0.39) CHRM1KCNH2CHRM4KDM4EMEN1
SCHEMBL3453802 0.72 KDM4E (0.51) CHRM1MAPTKDM4EMEN1ALDH1A1
SCHEMBL13698503 0.71 CHRM4 (0.55) CHRM1KCNH2CHRM4
SCHEMBL10294621 0.70 MAPT (0.51) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL13698496 0.68 DRD2 (0.51) CHRM1KCNH2CHRM4MAPTMEN1
SCHEMBL3452406 0.68 MAPT (0.42) KCNH2MAPTALDH1A1KCNJ1
SCHEMBL3453688 0.67 ALDH1A1 (0.65) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL3453198 0.67 HRH3 (0.48) CHRM1CHRM4GPR119CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM1 5/4885KCNH2 416/4885CHRM4 4/4885
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 CHRM1 5/4885KCNH2 648/4885CHRM4 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.