SCHEMBL89313

SCHEMBL89313

CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H](C(=O)NC(CO)Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
STS P08842 1/20 0.45
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 1/20 0.42
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
YAP1 P46937 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL88958 0.92 MAPK1 (0.45) MAPK1STSKMT2ACYP3A4ATM
SCHEMBL89070 0.82 NR1H2 (0.41) MAPK1KMT2AMEN1ALDH1A1
SCHEMBL89617 0.81 CCR5 (0.44) MAPK1STSATMNAMPT
SCHEMBL89862 0.80 RECQL (0.53) ATMALDH1A1USP2
SCHEMBL89545 0.80 ALDH1A1 (0.51) STSKMT2ACYP3A4MEN1ALDH1A1
SCHEMBL89416 0.79 NR1H2 (0.41) MAPK1KMT2AMEN1ALDH1A1
SCHEMBL21640759 0.78 NR1H2 (0.49) STSKMT2AMEN1ALDH1A1USP2
SCHEMBL90006 0.76 RORC (0.44) STSJAK2JAK1GPR119KDM4E
SCHEMBL1979688 0.74 STS (0.60) MAPK1STSKMT2AYAP1JAK2
SCHEMBL89062 0.73 NR1H2 (0.54) KMT2AMEN1ALDH1A1GPR119KDM4E

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 MAPK1 3191/4885STS 2660/4885KMT2A 3129/4885

“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.