SCHEMBL2689323

SCHEMBL2689323

COc1ccc(CCC=O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.57
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A4 P31645 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
IDO1 P14902 1/20 0.44
EP300 Q09472 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3242867 0.88 SLC2A1 (0.56) SLC2A1CYP2C9HIF1ASLC6A4MEN1
SCHEMBL30594481 0.83 SLC2A1 (0.54) SLC2A1CYP2C9HIF1ASLC6A4MEN1
SCHEMBL12324727 0.79 SLC2A1 (0.55) SLC2A1CYP2C9HIF1ASLC6A4MEN1
SCHEMBL910888 0.79 CHRM2 (0.58) IDO1ALDH1A1
SCHEMBL8429646 0.78 CYP2C9 (0.57) SLC2A1CYP2C9HIF1ASLC6A4MEN1
SCHEMBL31618118 0.77 TAAR1 (0.61) SLC2A1SLC6A4IDO1EP300KAT8
SCHEMBL29642623 0.77 TAAR1 (0.56) SLC2A1CYP2C9HIF1ASLC6A4MEN1
SCHEMBL8851717 0.77 SLC2A1 (0.54) SLC2A1CYP2C9HIF1ASLC6A4MEN1
SCHEMBL1254103 0.77 TAAR1 (0.61) SLC2A1SLC6A4IDO1EP300KAT8
SCHEMBL11736830 0.77 SLC2A1 (0.57) SLC2A1CYP2C9HIF1ASLC6A4MEN1

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
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 US disclosed
EP-1771435-A4 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RES INST (US) 2008-02-13 EP disclosed
EP-1771435-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS Human Biomolecular Research Institute (US) 2007-04-11 EP disclosed
WO-2006025920-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2006-03-09 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 (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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 SLC2A1 1588/4885CYP2C9 4487/4885HIF1A 3722/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC2A1 1588/4885CYP2C9 4487/4885HIF1A 3722/4885

“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.