SCHEMBL363429

SCHEMBL363429

COc1ccc(C(=O)CC(c2ccc(C3CCN(C(=O)O)CC3)cc2)c2ccccc2C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ CTSA P10619 1/20 0.38
▸ GPBAR1 Q8TDU6 3/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ GPR183 P32249 2/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL363900 0.90 GPR119 (0.46) —
SCHEMBL1390947 0.90 GPR119 (0.46) —
SCHEMBL368625 0.81 GPBAR1 (0.53) GPBAR1KMT2ANPC1RAB9AMEN1
SCHEMBL1390664 0.80 CTSA (0.45) GRIN2BCTSAGPBAR1KMT2AGPR183
SCHEMBL1390214 0.80 CTSA (0.45) GRIN2BCTSAGPBAR1KMT2AGPR183
SCHEMBL1390215 0.80 CTSA (0.45) GRIN2BCTSAGPBAR1KMT2AGPR183
SCHEMBL369411 0.80 TRPV6 (0.45) GRIN2BGPBAR1TRPV6KMT2AHRH3
SCHEMBL371362 0.80 APAF1 (0.41) GPBAR1KMT2AHRH3KCNH2MEN1
SCHEMBL14936913 0.79 GPBAR1 (0.36) GPBAR1HSD11B1KMT2ANPC1RAB9A
SCHEMBL364490 0.77 KMT2A (0.39) GPBAR1HSD11B1KMT2ANPC1RAB9A

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 5 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 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 ENPP2 1228/4885GRIN2B 653/4885CTSA 3225/4885

“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.

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