SCHEMBL89644

SCHEMBL89644

COCCCn1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)CC(CO)CC(C)C)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.41
HTR2A P28223 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
BCL9 O00512 1/20 0.31
CTNNB1 P35222 1/20 0.31
GPR119 Q8TDV5 2/20 0.30
KCNH2 Q12809 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
SCHEMBL89639 0.85 REN (0.53) RENKCNH2
SCHEMBL89623 0.82 REN (0.35) RENKCNH2
SCHEMBL89164 0.81 REN (0.35) RENJAK2JAK1BCL9CTNNB1
SCHEMBL89202 0.81 REN (0.33) RENKCNH2
SCHEMBL89340 0.74 REN (0.39) REN
SCHEMBL88880 0.72 REN (0.75) REN
SCHEMBL89201 0.72 REN (0.62) REN
SCHEMBL89006 0.72 REN (0.48) RENKCNH2
SCHEMBL89310 0.72 REN (0.51) RENKCNH2
SCHEMBL89225 0.71 REN (0.70) REN

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 1/4885HTR2A 1464/4885JAK2 266/4885

“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.