SCHEMBL90631

SCHEMBL90631

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.41
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 2/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL90629 0.93 REN (0.39) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8235850 0.90 REN (0.40) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL90108 0.90 REN (0.40) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL90000 0.90 REN (0.39) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89450 0.89 REN (0.46) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89410 0.89 REN (0.46) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89981 0.89 REN (0.47) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL90199 0.89 ALDH1A1 (0.36) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL89982 0.89 REN (0.46) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL90429 0.89 REN (0.36) RENALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 1/4885ALDH1A1 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.