SCHEMBL3453437

SCHEMBL3453437

Cc1cc(C)nc(N2CCN(C3CC4CCC3C4)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
PKM P14618 2/20 0.39
AXL P30530 3/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3453166 0.78 KMT2A (0.41) KDM4EHPGDNPSR1KMT2AMEN1
SCHEMBL3453526 0.78 ALDH1A1 (0.53) KDM4EKMT2AMEN1PKMAXL
SCHEMBL3453431 0.77 HTR3E (0.52) KDM4EKMT2AMEN1PKMAXL
SCHEMBL3453473 0.74 KMT2A (0.45) KDM4EKMT2AMEN1PKMAXL
SCHEMBL15926456 0.74 KMT2A (0.43) KDM4EKMT2AMEN1PKMAXL
SCHEMBL14853382 0.74 KMT2A (0.43) KDM4EKMT2AMEN1PKMAXL
SCHEMBL11981586 0.74 KMT2A (0.43) KDM4EKMT2AMEN1PKMAXL
SCHEMBL27979614 0.74 KDM4E (0.50) KDM4EKMT2AMEN1PKMAXL
SCHEMBL12725510 0.74 KMT2A (0.56) KDM4EKMT2AMEN1PKMAXL
SCHEMBL15759153 0.74 KMT2A (0.56) KDM4EKMT2AMEN1PKMAXL

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 KDM4E 2719/4885HSD17B10 3653/4885HPGD 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 KDM4E 2477/4885HSD17B10 2451/4885HPGD 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.