SCHEMBL90008

SCHEMBL90008

COC(C)(C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
GABRB1 P18505 1/20 0.54
GABRB2 P47870 1/20 0.54
CTSK P43235 5/20 0.51
CTSS P25774 4/20 0.51
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
IDO1 P14902 1/20 0.42
ACE P12821 1/20 0.41

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
SCHEMBL90081 1.00 MAPT (0.57) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL30703543 0.87 MAPT (0.44) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL9607542 0.86 GABRB1 (0.57) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL9607543 0.86 GABRB1 (0.57) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL56893 0.84 GABRB1 (0.56) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL1954379 0.84 GABRB1 (0.56) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL56959 0.84 GABRB1 (0.56) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL30703521 0.84 BCL2 (0.49) MAPTGABRB1GABRB2CTSSPPARA
SCHEMBL20721298 0.84 MAPT (0.62) MAPTGABRB1GABRB2CTSKCTSS
SCHEMBL13051338 0.84 MAPT (0.62) MAPTGABRB1GABRB2CTSKCTSS

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 MAPT 1089/4885GABRB1 1609/4885GABRB2 2122/4885

“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.