SCHEMBL338682

SCHEMBL338682

CN(C)C1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.39
MCHR1 Q99705 3/20 0.37
PTPN11 Q06124 1/20 0.36
CHIT1 Q13231 1/20 0.36
CHIA Q9BZP6 1/20 0.36
DPP4 P27487 7/20 0.34
DPP8 Q6V1X1 4/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
MAPK8 P45983 1/20 0.33
ATR Q13535 1/20 0.33
DPP9 Q86TI2 2/20 0.33
SLC2A2 P11168 1/20 0.32

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
SCHEMBL340037 0.86 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL339235 0.85 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL338785 0.85 DPP4 (0.39) DPP4DPP8HRH4DPP9
SCHEMBL8232635 0.84 CYP2D6 (0.32) NPY1RPTPN11
SCHEMBL339127 0.83 DPP4 (0.43) DPP4DPP8DPP9SLC2A2
SCHEMBL339424 0.83 DPP4 (0.43) DPP4DPP8
SCHEMBL339768 0.83 ACVR1 (0.36) DPP4DPP8ATR
SCHEMBL1911441 0.82 DPP4 (0.33) DPP4DPP8DPP9
SCHEMBL1911442 0.82 DPP4 (0.34) DPP4DPP8DPP9
SCHEMBL339389 0.82 ALDH1A1 (0.45) DPP4DPP8DPP9

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-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC NPY1R 541/4885MCHR1 2662/4885PTPN11 1370/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC NPY1R 541/4885MCHR1 2662/4885PTPN11 1370/4885

“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.