SCHEMBL90518

SCHEMBL90518

CCOC(=O)c1cc2c(c(OCCOC)c1)CCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 6/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B2 P37059 1/20 0.37
TP53 P04637 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GLA P06280 1/20 0.37
CTNNB1 P35222 1/20 0.36

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
SCHEMBL90489 0.94 REN (0.39) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL90485 0.87 REN (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL88826 0.79 HTR1A (0.41)
SCHEMBL26644411 0.79 HSD17B2 (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL57211 0.79 CA12 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3375913 0.77 PLK1 (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13131933 0.76 REN (0.39) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL89321 0.76 HTR1A (0.41)
SCHEMBL18508678 0.76 REN (0.44) RAB9ANPC1MAPTUSP2CTNNB1
SCHEMBL13131962 0.75 AMPD3 (0.42) RAB9ANPC1MEN1KMT2AMAPT

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 RAB9A 500/4885NPC1 2676/4885MEN1 2336/4885

“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.