SCHEMBL89855

SCHEMBL89855

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC4(c5ccncc5)CCCC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.30
GAA P10253 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL89608 0.94 REN (0.40) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89587 0.92 REN (0.41) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10282924 0.92 REN (0.41) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89550 0.92 REN (0.40) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL90105 0.91 REN (0.42) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL90676 0.91 REN (0.42) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89932 0.90 REN (0.42) RENKMT2AMEN1ALDH1A1GAA
SCHEMBL90659 0.90 REN (0.41) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89761 0.89 REN (0.41) RENKMT2AMEN1ALDH1A1
SCHEMBL89128 0.89 REN (0.31) REN

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 REN 1/4885KMT2A 3129/4885MEN1 2336/4885

“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.