SCHEMBL3453408

SCHEMBL3453408

N#Cc1cccnc1N1CCN(C2CC3CCC2C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
RECQL P46063 1/20 0.52
HSD11B1 P28845 2/20 0.52
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
DRD2 P14416 3/20 0.47
HTR2A P28223 2/20 0.47
GRM1 Q13255 2/20 0.45
DPP4 P27487 2/20 0.45
HDAC2 Q92769 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
DRD4 P21917 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL3453361 0.84 KDM4E (0.55) KDM4ERECQLHSD11B1ALDH1A1MAPT
SCHEMBL3453869 0.82 HSD11B1 (0.62) KDM4ERECQLHSD11B1ALDH1A1MAPT
SCHEMBL13698529 0.82 KDM4E (0.47) KDM4EALDH1A1DRD2GRM1DRD4
SCHEMBL3452964 0.81 MAPT (0.44) KDM4EHSD11B1ALDH1A1MAPT
SCHEMBL3453508 0.81 HSD11B1 (0.46) KDM4EHSD11B1
SCHEMBL3453567 0.81 HSD11B1 (0.47) KDM4EHSD11B1ALDH1A1
SCHEMBL3454109 0.80 HRH4 (0.52) KDM4EALDH1A1MAPTTDP1
SCHEMBL3453809 0.78 HSD11B1 (0.57) KDM4ERECQLHSD11B1ALDH1A1MAPT
SCHEMBL3453526 0.77 ALDH1A1 (0.53) KDM4EALDH1A1MAPTDRD2DRD4
SCHEMBL3459820 0.77 KMT2A (0.38) KDM4EHSD11B1ALDH1A1TDP1

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 10 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
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP disclosed
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 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 KDM4E 2719/4885RECQL 3594/4885HSD11B1 3053/4885
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 KDM4E 2477/4885RECQL 2305/4885HSD11B1 1629/4885

“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.