SCHEMBL90564

SCHEMBL90564

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)NC3(c4ccncc4)CCCC3)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.33
NSD2 O96028 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
REN P00797 2/20 0.31
QPCT Q16769 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL89132 0.86 REN (0.43) REN
SCHEMBL89889 0.84 PDE4B (0.38) GPR119NSD2EHMT2PDE4BREN
SCHEMBL89134 0.84 GPR119 (0.37) GPR119PDE4BUSP30
SCHEMBL89128 0.81 REN (0.31) REN
SCHEMBL1911384 0.80 MEN1 (0.46) GPR119NSD2EHMT2RENUSP30
SCHEMBL89855 0.80 REN (0.40) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL90188 0.79 REN (0.47) PDE4BRENUSP30
SCHEMBL90536 0.76 PDE4B (0.40) GPR119PDE4BRENUSP30
SCHEMBL89618 0.76 REN (0.42) RENQPCT
SCHEMBL89756 0.75 MEN1 (0.37) GPR119PDE4BRENUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 GPR119 861/4885NSD2 3692/4885EHMT2 3321/4885

“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.