Sugi Predict

Sugi Predict / Compounds / SCHEMBL1389969

SCHEMBL1389969

SCHEMBL1389969

COCCN(C)c1ccc([C@@H](C/C(=N\O)c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.63
▸ CFTR P13569 1/20 0.32
▸ USP1 O94782 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
SCHEMBL1389972 1.00 GPBAR1 (0.63) GPBAR1CFTRUSP1NR3C2CYP2D6
SCHEMBL1389970 1.00 GPBAR1 (0.63) GPBAR1CFTRUSP1NR3C2CYP2D6
SCHEMBL1389971 1.00 GPBAR1 (0.63) GPBAR1CFTRUSP1NR3C2CYP2D6
SCHEMBL1389853 0.90 GPBAR1 (0.66) GPBAR1NR3C2CTSAL3MBTL1
SCHEMBL1389855 0.90 GPBAR1 (0.66) GPBAR1NR3C2CTSAL3MBTL1
SCHEMBL1389851 0.90 GPBAR1 (0.66) GPBAR1NR3C2CTSAL3MBTL1
SCHEMBL1389846 0.90 GPBAR1 (0.66) GPBAR1NR3C2CTSAL3MBTL1
SCHEMBL1389537 0.90 GPBAR1 (0.59) GPBAR1CFTRUSP1CYP2D6SLC22A2
SCHEMBL1389539 0.90 GPBAR1 (0.59) GPBAR1CFTRUSP1CYP2D6SLC22A2
SCHEMBL362837 0.90 GPBAR1 (0.59) GPBAR1CFTRUSP1CYP2D6SLC22A2

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 10 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
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 1/4885CFTR 116/4885USP1 2681/4885

“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.