SCHEMBL364506

SCHEMBL364506

CON(C)C(=O)C[C@H](c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ THRB P10828 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL1390642 1.00 NAMPT (0.46) NAMPTGPR119KDM4EPKMUSP30
SCHEMBL364490 0.89 KMT2A (0.39) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL14965520 0.87 KMT2A (0.36) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL14936621 0.80 NAMPT (0.44) NAMPTGPR119KDM4EPKMTHRB
SCHEMBL1390947 0.80 GPR119 (0.46) NAMPTGPR119KDM4EPKMTHRB
SCHEMBL363900 0.80 GPR119 (0.46) NAMPTGPR119KDM4EPKMTHRB
SCHEMBL370010 0.79 GPR119 (0.44) NAMPTGPR119KDM4EPKMUSP30
SCHEMBL368574 0.79 GPBAR1 (0.51) NAMPTGPR119KDM4EPKMMEN1
SCHEMBL368575 0.79 GPBAR1 (0.51) NAMPTGPR119KDM4EPKMMEN1
SCHEMBL370011 0.79 GPR119 (0.44) NAMPTGPR119KDM4EPKMUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780330-B1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2016-01-06 — — EP disclosed
US-9090565-B2 1-pyridazinyl-hydroxyimino-3-phenyl-propanes HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US 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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
US-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, ADRB1, GPER1 NAMPT 3359/4885GPR119 4/4885KDM4E 4361/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 NAMPT 4092/4885GPR119 2/4885KDM4E 4298/4885

“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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