SCHEMBL3453480

SCHEMBL3453480

N#Cc1ccc(C(F)(F)F)nc1N1CCN(CC2CC3C=CC2C3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
ATM Q13315 1/20 0.52
TSHR P16473 1/20 0.49
ALDH1A1 P00352 8/20 0.43
PKM P14618 3/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3453851 0.84 KDM4E (0.52) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3453787 0.80 GRM2 (0.37) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3453794 0.79 KDM4E (0.56) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13698544 0.74 KDM4E (0.66) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2525114 0.74 KDM4E (0.50) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2525372 0.73 KDM4E (0.46) KDM4EMEN1KMT2AATMTSHR
SCHEMBL2525410 0.73 RXFP1 (0.49) KDM4ECYP1A2CYP2C19TSHRALDH1A1
SCHEMBL3452393 0.73 KDM4E (0.53) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2529187 0.73 HSD11B1 (0.52) KDM4EATMALDH1A1MAPTLMNA
SCHEMBL2525426 0.72 HRH4 (0.41) KDM4EMEN1KMT2AALDH1A1HTT

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 KDM4E 2719/4885MEN1 2398/4885KMT2A 1870/4885
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 2477/4885MEN1 4642/4885KMT2A 2527/4885

“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.