SCHEMBL1592035

SCHEMBL1592035

COC(=O)c1cc(Cl)nc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
HDAC1 Q13547 1/20 0.47
SUV39H2 Q9H5I1 2/20 0.46
GPR119 Q8TDV5 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
PIK3CD O00329 1/20 0.39
CHRM4 P08173 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
NTRK1 P04629 1/20 0.37
PANK3 Q9H999 2/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36

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
SCHEMBL1591917 1.00 MAP4K4 (0.49) MAP4K4HDAC1SUV39H2GPR119TRPV1
SCHEMBL1591916 1.00 MAP4K4 (0.49) MAP4K4HDAC1SUV39H2GPR119TRPV1
SCHEMBL1579305 0.86 CHRM4 (0.42) SUV39H2TRPV1PIK3CDCHRM4PANK3
SCHEMBL1579583 0.86 CHRM4 (0.42) SUV39H2TRPV1PIK3CDCHRM4PANK3
SCHEMBL1579308 0.86 CHRM4 (0.42) SUV39H2TRPV1PIK3CDCHRM4PANK3
SCHEMBL31275247 0.85 MAP4K4 (0.52) MAP4K4HDAC1SUV39H2GPR119TRPV1
SCHEMBL1581021 0.83 CKS1B (0.46) MAP4K4SUV39H2GPR119NR1H2
SCHEMBL21551664 0.82 GPR119 (0.49) MAP4K4HDAC1SUV39H2GPR119CHRM4
SCHEMBL28551924 0.82 GPR119 (0.49) MAP4K4HDAC1SUV39H2GPR119CHRM4
SCHEMBL14819003 0.82 MAP4K4 (0.50) MAP4K4HDAC1SUV39H2GPR119TRPV1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20110092505-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-21 US disclosed
WO-2009150230-A1 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER NOVARTIS AG (CH) 2009-12-17 WO 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 (1 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-20110092505-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 MAP4K4 4449/4885HDAC1 2549/4885SUV39H2 3069/4885

“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.