SCHEMBL363790

SCHEMBL363790

Cc1cc(C(=O)CC(c2ccc(N3CCOCC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.52
CTSA P10619 1/20 0.52
PSEN1 P49768 5/20 0.43
PSEN2 P49810 5/20 0.43
APH1B Q8WW43 5/20 0.43
NCSTN Q92542 5/20 0.43
APH1A Q96BI3 5/20 0.43
PSENEN Q9NZ42 5/20 0.43
PLOD2 O00469 2/20 0.42
PLOD3 O60568 2/20 0.42
PLOD1 Q02809 2/20 0.42
ALDH1A1 P00352 2/20 0.40
PIK3CA P42336 2/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL15949081 1.00 GPBAR1 (0.52) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL363560 1.00 GPBAR1 (0.52) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949056 0.89 GPBAR1 (0.51) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL371318 0.89 GPBAR1 (0.51) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949057 0.89 GPBAR1 (0.51) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949146 0.88 PLOD2 (0.50) GPBAR1CTSAPLOD2PLOD3PLOD1
SCHEMBL362799 0.88 GPBAR1 (0.50) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL362161 0.88 GPBAR1 (0.50) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL362197 0.88 GPBAR1 (0.50) GPBAR1CTSAPSEN1PSEN2APH1B
SCHEMBL15949153 0.87 GPBAR1 (0.49) GPBAR1CTSAALDH1A1LMNAHTT

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
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
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
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.