SCHEMBL90554

SCHEMBL90554

CCN(C(=O)[C@@H]1C[C@H](C(=O)Nc2c(C)cccc2OC)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.38
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL89744 0.91 REN (0.42) RENTDP1CASP1MEN1KMT2A
SCHEMBL89511 0.88 REN (0.49) RENTDP1CASP1MEN1KMT2A
SCHEMBL90140 0.86 REN (0.39) RENCASP1MEN1KMT2APOLB
SCHEMBL90745 0.86 REN (0.40) RENCASP1MEN1KMT2APOLB
SCHEMBL89933 0.85 REN (0.36) RENTDP1CASP1MEN1KMT2A
SCHEMBL89529 0.82 TDP1 (0.43) RENTDP1CASP1MEN1KMT2A
SCHEMBL89094 0.82 REN (0.45) RENTDP1CASP1MEN1KMT2A
SCHEMBL89780 0.82 REN (0.55) RENMEN1KMT2APOLBALDH1A1
SCHEMBL89516 0.82 REN (0.42) RENTDP1CASP1MEN1KMT2A
SCHEMBL89432 0.81 REN (0.40) RENTDP1CASP1MEN1KMT2A

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 1/4885TDP1 2580/4885CASP1 1239/4885

“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.