SCHEMBL339772

SCHEMBL339772

COc1ccc(N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DPP4 P27487 5/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP9 Q86TI2 4/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
METAP1 P53582 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.38
FYN P06241 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL338785 0.86 DPP4 (0.39) ALDH1A1DPP4DPP8DPP9DRD2
SCHEMBL340037 0.84 DPP4 (0.39) LMNAALDH1A1HTTNPSR1DPP4
SCHEMBL339127 0.84 DPP4 (0.43) MAPTLMNAALDH1A1GAANPSR1
SCHEMBL339235 0.82 DPP4 (0.43) DPP4DPP8DPP9CYP3A4
SCHEMBL339424 0.82 DPP4 (0.43) DPP4DPP8CYP3A4
SCHEMBL339494 0.81 SLC2A1 (0.43) MAPTLMNAMAPK1NPSR1DPP4
SCHEMBL339214 0.81 SLC2A2 (0.44) MAPTALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL1911441 0.80 DPP4 (0.33) DPP4DPP8DPP9CYP3A4
SCHEMBL1911442 0.80 DPP4 (0.34) DPP4DPP8DPP9CYP3A4
SCHEMBL340318 0.80 EPHX2 (0.43) MAPTLMNAALDH1A1MAPK1HTT

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 MAPT 2167/4885LMNA 3629/4885ALDH1A1 480/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC MAPT 2167/4885LMNA 3629/4885ALDH1A1 480/4885

“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.