SCHEMBL842624

SCHEMBL842624

CC(C)[C@@H]1C[C@@H](CO)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPT P10636 2/20 0.33
DPP4 P27487 1/20 0.33
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33

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
SCHEMBL842157 0.84 PLA2G10 (0.33) NR1H2PLA2G10PLA2G5DDB1CRBN
SCHEMBL7063384 0.81 NR1H2 (0.43) NR1H2DDB1CRBNCHRM2CHRM1
SCHEMBL12531098 0.81 NR1H2 (0.43) NR1H2DDB1CRBNCHRM2CHRM1
SCHEMBL7063383 0.81 NR1H2 (0.43) NR1H2DDB1CRBNCHRM2CHRM1
SCHEMBL6491278 0.79 NR1H2 (0.41) NR1H2DDB1CRBNCHRM2CHRM1
SCHEMBL12824561 0.79 HSD17B10 (0.36) NR1H2PLA2G10PLA2G5CHRM2CHRM1
SCHEMBL12824562 0.79 PLA2G10 (0.30) PLA2G10PLA2G5
SCHEMBL9907037 0.74 USP2 (0.33) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL9907056 0.74 USP2 (0.33) PLA2G10PLA2G5CHRM2CHRM1CHRM3
SCHEMBL24250115 0.71 NR1H2 (0.41) NR1H2DDB1CRBNCHRM2CHRM1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143416-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143416-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 US disclosed
US-7910774-B2 Alternative synthesis of renin inhibitors and intermediates thereof NOVARTIS AG (CH) 2011-03-22 US disclosed
EP-1789377-B1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2010-10-20 EP disclosed
EP-1789377-B1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2010-10-20 EP disclosed
EP-1978012-A1 Alternative synthesis of renin inhibitors and intermediates thereof Novartis AG (CH) 2008-10-08 EP disclosed
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1789377-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF Novartis AG (CH) 2007-05-30 EP disclosed
WO-2006024501-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2006-03-09 WO disclosed
WO-2006024501-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2006-03-09 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 (2 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-20110137044-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT NR1H2 1372/4885PLA2G10 2366/4885PLA2G5 1615/4885
US-20070208055-A1 ALTERNATIVE SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES THEREOF REN, ACE, AGT NR1H2 1364/4885PLA2G10 2406/4885PLA2G5 1644/4885

“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.