SCHEMBL89820

SCHEMBL89820

CCOCC1(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 1/20 0.35
DPP4 P27487 1/20 0.35
CTSL P07711 1/20 0.35
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
APLNR P35414 1/20 0.34
P2RX7 Q99572 1/20 0.34
PPIA P62937 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL89757 0.83 PPIA (0.37) KMT2AMEN1MAPK1CTSLCA1
SCHEMBL23161172 0.83 MEN1 (0.36) KMT2AMEN1MAPK1CTSLCA1
SCHEMBL14173595 0.82 KMT2A (0.38) KMT2AMEN1MAPK1CTSLCA1
SCHEMBL31716071 0.81 SMN1; SMN2 (0.35) KMT2AMEN1MAPK1CTSLAPLNR
SCHEMBL23663256 0.81 PPIA (0.36) KMT2AMEN1MAPK1CTSLCA1
SCHEMBL22169835 0.79 DPP4 (0.36) DPP4HTT
SCHEMBL14762329 0.79 TLR2 (0.34) CTSLP2RX7
SCHEMBL56916 0.79 TDP1 (0.41) KMT2AMEN1MAPK1CTSLCA1
SCHEMBL10239091 0.78 CA12 (0.36) KMT2AMEN1MAPK1CTSLCA1
SCHEMBL1752478 0.77 MEN1 (0.37) KMT2AMEN1MAPK1CTSLCA1

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 KMT2A 3129/4885MEN1 2336/4885MAPK1 3191/4885

“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.