SCHEMBL89567

SCHEMBL89567

COCCOc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)NC(CO)CC(C)C)CN(C(=O)OC(C)(C)C)C2)C2CC2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.51
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
ADAM17 P78536 5/20 0.35
KCNH2 Q12809 2/20 0.34
MAPK1 P28482 1/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL89444 0.97 REN (0.53) RENHTR3EHTR3BHTR3AHTR3D
SCHEMBL90316 0.94 REN (0.47) RENHTR3EHTR3BHTR3AHTR3D
SCHEMBL88933 0.86 REN (0.66) RENKCNH2
SCHEMBL89259 0.83 REN (0.68) RENKCNH2
SCHEMBL88880 0.82 REN (0.75) REN
SCHEMBL89201 0.82 REN (0.62) REN
SCHEMBL89204 0.81 REN (0.44) RENKCNH2
SCHEMBL89206 0.80 REN (0.47) RENKCNH2
SCHEMBL89581 0.80 REN (0.61) RENHTR3EHTR3BHTR3AHTR3D
SCHEMBL89006 0.79 REN (0.48) RENKCNH2

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 1/4885HTR3E 858/4885HTR3B 625/4885

“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.