SCHEMBL3452741

SCHEMBL3452741

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.68
HPGD P15428 1/20 0.68
KDM4E B2RXH2 5/20 0.52
LMNA P02545 4/20 0.52
ABL1 P00519 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3453316 0.84 HRH3 (0.55) SMN1; SMN2HPGDHRH3MAPT
SCHEMBL3453871 0.84 HRH3 (0.58) SMN1; SMN2HPGDHRH3
SCHEMBL3454291 0.83 PANK3 (0.49) SMN1; SMN2HPGDHRH3DPP4DPP8
SCHEMBL1573375 0.78 HPGD (0.69) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL1705471 0.78 SMN1; SMN2 (0.71) SMN1; SMN2HPGDKDM4ELMNAHRH3
Hydrochloric Acid SCHEMBL27620712 0.77 HRH3 (0.61) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL3188250 0.77 SMN1; SMN2 (0.67) SMN1; SMN2HPGDKDM4ELMNAABL1
SCHEMBL5197024 0.75 CHRM1 (0.44)
SCHEMBL3452878 0.75 CHRM1 (0.48) SMN1; SMN2KDM4ELMNAHRH3MAPT
SCHEMBL3453198 0.74 HRH3 (0.48) HRH3

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 SMN1; SMN2 3945/4885HPGD 1606/4885KDM4E 2719/4885
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 SMN1; SMN2 1881/4885HPGD 201/4885KDM4E 2477/4885

“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.