SCHEMBL89545

SCHEMBL89545

CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H](C(=O)NCCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.48
STS P08842 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TP53 P04637 1/20 0.47
PTPN1 P18031 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL22622438 0.87 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1CYP3A4CYP2D6
SCHEMBL4922267 0.85 STS (0.65) ALDH1A1CYP2C19KMT2AMEN1POLB
SCHEMBL22616973 0.85 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1CYP3A4CYP2D6
SCHEMBL18485323 0.81 NR1H2 (0.42) ALDH1A1CYP3A4HPGDCYP2C19KMT2A
SCHEMBL89075 0.81 HSD17B10 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL18485344 0.81 NAAA (0.44) CYP2C19KMT2AMEN1POLB
SCHEMBL90735 0.81 HSD17B10 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL90387 0.81 HSD17B10 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL4921942 0.81 TACR1 (0.56) ALDH1A1HPGDKMT2AMEN1POLB
SCHEMBL28627315 0.81 TLR2 (0.60) RAB9ANPC1KMT2APOLBTAAR1

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 ALDH1A1 38/4885RAB9A 500/4885NPC1 2676/4885

“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.