SCHEMBL3453472

SCHEMBL3453472

N#Cc1nccnc1N1CCN(C2CC3CCC(C2)N3C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
NEK2 P51955 1/20 0.35
HDAC2 Q92769 1/20 0.33
KCNJ1 P48048 1/20 0.32
DRD2 P14416 2/20 0.32
HSD11B1 P28845 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL5197445 0.85 MAPT (0.42) MAPTKDM4E
SCHEMBL3453678 0.83 KDM4E (0.57) MAPTDPP4DPP8DPP7KDM4E
SCHEMBL3453862 0.76 HRH3 (0.46) MAPTDPP4DPP8DPP7DRD2
SCHEMBL3453143 0.76 DPP4 (0.53) DPP4
SCHEMBL3452836 0.74 DPP4 (0.53) DPP4DPP8DPP7HSD11B1
SCHEMBL3612971 0.71 CHRM1 (0.42) MAPTKDM4EKCNJ1
SCHEMBL5090098 0.70 MAPT (0.44) MAPTDPP4DPP8DPP7GRM5
SCHEMBL3452964 0.70 MAPT (0.44) MAPTGRM5KDM4EHSD11B1
SCHEMBL3840959 0.70 DPP4 (0.68) DPP4DPP8DPP7
SCHEMBL3453802 0.69 KDM4E (0.51) MAPTDPP4DPP8DPP7KDM4E

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 3 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 disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US 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

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 MAPT 3368/4885DPP4 1539/4885DPP8 2022/4885
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 MAPT 319/4885DPP4 877/4885DPP8 1150/4885

“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.