SCHEMBL89116

SCHEMBL89116

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NCC4(O)CCCCC4)C3)C3CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.54
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL90099 0.94 REN (0.54) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90127 0.92 REN (0.54) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89593 0.92 REN (0.55) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89840 0.90 REN (0.55) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89766 0.90 REN (0.62) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90156 0.89 REN (0.53) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90254 0.89 REN (0.53) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL89236 0.89 REN (0.53) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90633 0.89 REN (0.55) RENALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL90645 0.89 REN (0.58) RENALDH1A1SMN1; SMN2KMT2APOLB

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.