SCHEMBL89778

SCHEMBL89778

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC4(C)CCOCC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL90676 0.96 REN (0.42) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89916 0.93 REN (0.41) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89751 0.92 REN (0.42) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89925 0.91 REN (0.42) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL90659 0.91 REN (0.41) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89493 0.91 REN (0.43) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL90585 0.91 REN (0.41) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL1911409 0.91 REN (0.44) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89822 0.91 REN (0.44) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89904 0.90 REN (0.44) RENHPGDALDH1A1KMT2AMEN1

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 1/4885HPGD 723/4885ALDH1A1 38/4885

“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.