SCHEMBL89715

SCHEMBL89715

CCC(CC)(NC(=O)[C@H]1C[C@@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C2CC2)CN(C(=O)OC(C)(C)C)C1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL90585 0.93 REN (0.41) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL89822 0.91 REN (0.44) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL1911409 0.91 REN (0.44) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL89925 0.90 REN (0.42) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL89493 0.90 REN (0.43) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10282943 0.90 REN (0.43) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL89904 0.89 REN (0.44) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL89778 0.89 REN (0.42) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL90182 0.89 REN (0.43) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL90670 0.89 REN (0.43) RENCYP1A2CYP2C9CYP2C19HPGD

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 6 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885CYP1A2 239/4885CYP2C9 211/4885

“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.