SCHEMBL90468

SCHEMBL90468

COCCCOc1cc(C(=O)NC2CC2)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.49
CNR1 P21554 6/20 0.46
CNR2 P34972 6/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
MCHR1 Q99705 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL2086693 0.88 MEN1 (0.66) KMT2AMEN1POLBCNR1CNR2
SCHEMBL89655 0.86 MEN1 (0.68) KMT2AMEN1POLBCNR1CNR2
SCHEMBL89250 0.86 MAPT (0.53) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL89024 0.84 MEN1 (0.47) KMT2AMEN1POLBCNR1CNR2
SCHEMBL3490269 0.83 MAPT (0.53) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL90464 0.83 POLB (0.51) KMT2AMEN1POLBCNR1CNR2
SCHEMBL89358 0.81 MEN1 (0.68) KMT2AMEN1POLBCNR1CNR2
SCHEMBL89430 0.80 PLA2G2A (0.54) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL89596 0.79 RAB9A (0.50) POLBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL89656 0.79 RAB9A (0.50) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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 2336/4885POLB 589/4885

“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.