SCHEMBL3453166

SCHEMBL3453166

Cc1cnc(C)c(N2CCN(C3CC4CCC3C4)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
AXL P30530 6/20 0.38
KDR P35968 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CDK4 P11802 2/20 0.36
AURKA O14965 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
SPR P35270 1/20 0.34

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
SCHEMBL3453473 0.83 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL3453437 0.78 KDM4E (0.44) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL15926456 0.77 KMT2A (0.43) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL11981586 0.77 KMT2A (0.43) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL14853382 0.77 KMT2A (0.43) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL3454109 0.76 HRH4 (0.52) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL14123365 0.75 KMT2A (0.39) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL14853344 0.75 KMT2A (0.44) KMT2AMEN1KDM4EPKMAXL
SCHEMBL14123275 0.75 KMT2A (0.39) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL14123414 0.75 KMT2A (0.39) KMT2AMEN1KDM4EALDH1A1PKM

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 9 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
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 KMT2A 1870/4885MEN1 2398/4885KDM4E 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 KMT2A 2527/4885MEN1 4642/4885KDM4E 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.