SCHEMBL1336034

SCHEMBL1336034

O=C(NC1CCCC1)OCc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.64
MAPT P10636 1/20 0.57
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NAAA Q02083 2/20 0.49
POLB P06746 1/20 0.49
ASAH1 Q13510 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL1334601 0.98 EPHX1 (0.67) EPHX1MAPTALDH1A1GAATSHR
SCHEMBL7198149 0.84 EPHX1 (0.81) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL8393719 0.83 EPHX1 (0.84) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL1424064 0.83 EPHX1 (0.84) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL13590482 0.83 EPHX1 (0.74) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL12126858 0.83 NAMPT (0.53) EPHX1MAPTALDH1A1GAATSHR
Bicarbonate SCHEMBL6203780 0.82 EPHX1 (0.82) EPHX1ALDH1A1GAATSHRMEN1
Cyclobutylcarbamic Acid Benzyl Ester SCHEMBL332814 0.81 EPHX1 (0.76) EPHX1ALDH1A1GAATSHRMEN1
SCHEMBL7000390 0.81 EPHX1 (0.71) EPHX1ALDH1A1GAATSHRMEN1
Methyl Alcohol SCHEMBL6780968 0.81 EPHX1 (0.80) EPHX1ALDH1A1GAATSHRMEN1

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
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US disclosed
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US disclosed
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP disclosed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO 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-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics GPR119, GLP1R, ADIPOR1 EPHX1 2550/4885MAPT 4163/4885ALDH1A1 2141/4885

“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.