SCHEMBL89913

SCHEMBL89913

CCOCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC(C)(C)c4ccccc4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.38
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 4/20 0.33
NPSR1 Q6W5P4 1/20 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
TSHR P16473 1/20 0.32
TACR1 P25103 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP30 Q70CQ3 1/20 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
SCHEMBL8229861 0.92 REN (0.36) RENKMT2AALDH1A1MEN1NPSR1
SCHEMBL89938 0.92 REN (0.41) RENKMT2AALDH1A1MEN1NPSR1
SCHEMBL90629 0.90 REN (0.39) RENKMT2AALDH1A1MEN1NPSR1
SCHEMBL90631 0.89 REN (0.41) RENKMT2AALDH1A1MEN1NPSR1
SCHEMBL90241 0.88 REN (0.49) RENALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL90000 0.88 REN (0.39) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL89615 0.88 REN (0.43) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL89981 0.87 REN (0.47) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL89239 0.87 REN (0.41) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8235850 0.87 REN (0.40) RENKMT2AALDH1A1MEN1SMN1; 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 3129/4885ALDH1A1 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.