SCHEMBL3452836

SCHEMBL3452836

N#Cc1ccc(N2CCN(C3CC4CCC(C3)N4C(=O)O)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
PANK3 Q9H999 8/20 0.49
HRH3 Q9Y5N1 1/20 0.46
CHRM4 P08173 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
CXCR3 P49682 1/20 0.44
HSD11B1 P28845 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PARP1 P09874 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL3454291 0.85 PANK3 (0.49) DPP4DPP8DPP9PANK3HRH3
SCHEMBL16627291 0.84 HRH3 (0.61) DPP4DPP8DPP9PANK3HRH3
SCHEMBL3453143 0.83 DPP4 (0.53) DPP4PANK3HRH3CHRM4
SCHEMBL26124147 0.83 CHRM1 (0.52) DPP4DPP8DPP9PANK3CHRM4
SCHEMBL3460040 0.81 HRH3 (0.59) HRH3JAK2JAK3PARP1
SCHEMBL3453713 0.81 HRH3 (0.54) HRH3
SCHEMBL2825721 0.79 HRH3 (0.55) DPP4DPP8DPP9PANK3HRH3
SCHEMBL19748857 0.78 HRH3 (0.54) DPP4DPP8DPP9PANK3HRH3
SCHEMBL19748850 0.78 PANK3 (0.61) DPP4DPP8DPP9PANK3CHRM4
SCHEMBL326846 0.75 CHRM4 (0.55) DPP4DPP8DPP9PANK3CHRM4

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 DPP4 1539/4885DPP8 2022/4885DPP9 2536/4885
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 DPP4 877/4885DPP8 1150/4885DPP9 1635/4885

“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.