SCHEMBL90608

SCHEMBL90608

CCOC[C@H](NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CTSK P43235 4/20 0.43
▸ CTSS P25774 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ CACNA1B Q00975 2/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ REN P00797 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL90287 1.00 EPHX1 (0.44) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL90706 0.86 EPHX1 (0.46) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL24298159 0.86 EPHX1 (0.46) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL89503 0.86 EPHX1 (0.46) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL3122584 0.85 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL13872467 0.84 CTSK (0.42) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL3125943 0.84 EPHX1 (0.46) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL1414447 0.82 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL12733104 0.82 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSK
SCHEMBL2702388 0.82 EPHX1 (0.48) EPHX1HDAC4HDAC1HDAC6CTSK

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 EPHX1 363/4885HDAC4 1913/4885HDAC1 994/4885

“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.

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