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SCHEMBL339891

SCHEMBL339891

CC(C)COc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccnc(N4CCOCC4)c3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.39
▸ NMT1 P30419 3/20 0.37
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SMG1 Q96Q15 2/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ CDK1 P06493 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ ACVR1 Q04771 1/20 0.33
▸ EED O75530 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ AR P10275 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 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
SCHEMBL339822 0.90 CNR2 (0.45) DPP4DPP8DPP9CNR2ALDH1A1
SCHEMBL338879 0.87 KDM4E (0.37) NMT1CNR2SMG1LRRK2CDK1
SCHEMBL339388 0.85 DPP4 (0.43) DPP4DPP8DPP9CNR2AR
SCHEMBL339832 0.79 DPP4 (0.49) DPP4DPP8DPP9KDM4EHTT
SCHEMBL339055 0.78 CNR2 (0.40) DPP4NMT1DPP8DPP9CNR2
SCHEMBL339638 0.78 CNR2 (0.44) CNR2KDM4EALDH1A1
SCHEMBL340301 0.76 DPP4 (0.40) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL339289 0.75 DPP4 (0.46) DPP4DPP8DPP9CNR2LRRK2
SCHEMBL338673 0.72 DPP4 (0.43) DPP4DPP8DPP9CNR2AR
SCHEMBL1911559 0.71 AAK1 (0.31) KDM4EALDH1A1POLBHTTSMN1; SMN2

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 DPP4 120/4885NMT1 825/4885DPP8 403/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885NMT1 825/4885DPP8 403/4885

“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.