SCHEMBL89897

SCHEMBL89897

CCOC1(CNC(=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)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
EPHX2 P34913 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CASP1 P29466 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
SCHEMBL90660 0.95 REN (0.43) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89515 0.92 REN (0.43) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL90676 0.89 REN (0.42) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89792 0.89 REN (0.49) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL89593 0.89 REN (0.55) RENKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL89252 0.88 REN (0.45) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL90659 0.88 REN (0.41) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL90061 0.88 REN (0.46) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1911396 0.88 REN (0.46) RENKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL90060 0.88 REN (0.48) RENKMT2AMEN1ALDH1A1SMN1; SMN2

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 3129/4885MEN1 2336/4885

“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.