SCHEMBL90402

SCHEMBL90402

CCOCC(C)(C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.52
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.36
KCNH2 Q12809 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8229685 0.92 REN (0.49) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89256 0.90 REN (0.58) RENCYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL90313 0.88 REN (0.61) RENKCNH2KMT2APOLB
SCHEMBL90403 0.88 REN (0.41) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89214 0.88 REN (0.47) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89873 0.88 REN (0.59) RENKCNH2KMT2APOLB
SCHEMBL1911403 0.86 REN (0.49) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL1911405 0.86 REN (0.70) RENKCNH2
SCHEMBL89842 0.86 REN (0.70) RENKCNH2
SCHEMBL1911400 0.86 REN (0.48) RENCYP1A2CYP2C9CYP2C19USP2

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 1/4885CYP1A2 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.