SCHEMBL89502

SCHEMBL89502

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC4(CC(C)C)CCN(C)CC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 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
SCHEMBL89875 0.97 REN (0.43) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL89235 0.96 REN (0.44) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL89751 0.91 REN (0.42) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL89921 0.90 REN (0.43) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL90659 0.90 REN (0.41) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL89932 0.89 REN (0.42) RENKMT2AMEN1ALDH1A1
SCHEMBL90190 0.88 REN (0.46) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL90676 0.88 REN (0.42) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL89697 0.88 REN (0.49) RENKMT2APOLBMEN1ALDH1A1
SCHEMBL90110 0.88 REN (0.48) RENKMT2APOLBMEN1ALDH1A1

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 3129/4885POLB 589/4885

“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.