SCHEMBL89733

SCHEMBL89733

COCCCOc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc2c1CCCO2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.36
KCNH2 Q12809 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL90515 0.96 REN (0.38) RENKCNH2GPR119
SCHEMBL89785 0.94 REN (0.42) RENKCNH2
SCHEMBL89317 0.92 REN (0.40) RENKCNH2
SCHEMBL89747 0.90 REN (0.42) RENKCNH2GPR119
SCHEMBL89711 0.87 REN (0.39) RENSMN1; SMN2GPR119
SCHEMBL89188 0.86 REN (0.47) RENKCNH2
SCHEMBL89584 0.86 REN (0.40) RENKCNH2GPR119
SCHEMBL90158 0.85 REN (0.37) RENKCNH2
SCHEMBL15087907 0.85 REN (0.37) RENKCNH2
SCHEMBL10282961 0.85 REN (0.37) 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 4 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
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 1/4885KCNH2 415/4885SMN1; 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.