SCHEMBL363168

SCHEMBL363168

Cc1cc(/C(C[C@@H](c2ccc(N3CCOCC3)cc2)c2ccccc2C)=N/O)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.65
CTSA P10619 1/20 0.47
PSEN1 P49768 5/20 0.39
PSEN2 P49810 5/20 0.39
APH1B Q8WW43 5/20 0.39
NCSTN Q92542 5/20 0.39
APH1A Q96BI3 5/20 0.39
PSENEN Q9NZ42 5/20 0.39
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AHR P35869 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PIK3CA P42336 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1389745 1.00 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1390244 1.00 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389750 1.00 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL364478 1.00 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1390247 1.00 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL1389748 1.00 GPBAR1 (0.65) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL364806 0.92 GPBAR1 (0.66) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949001 0.92 GPBAR1 (0.66) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949004 0.92 GPBAR1 (0.66) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949002 0.92 GPBAR1 (0.66) GPBAR1CTSAPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885CTSA 3225/4885PSEN1 663/4885

“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.