SCHEMBL89252

SCHEMBL89252

CCOCC1(NC(=O)[C@H]2C[C@@H](C(=O)N(c3ccc4c(c3)N(CCCOC)C(=O)C(C)(C)O4)C3CC3)CN(C(=O)OC(C)(C)C)C2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.45
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL90190 0.98 REN (0.46) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL90659 0.95 REN (0.41) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL89751 0.93 REN (0.42) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL90676 0.92 REN (0.42) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL90000 0.92 REN (0.39) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8235850 0.91 REN (0.40) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL90108 0.91 REN (0.40) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL89921 0.90 REN (0.43) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL89792 0.90 REN (0.49) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL89235 0.89 REN (0.44) RENALDH1A1SMN1; SMN2KMT2AMEN1

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 1/4885ALDH1A1 38/4885SMN1; SMN2 1867/4885

“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.