SCHEMBL3100197

SCHEMBL3100197

CC1(c2cccnc2)OC=CC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.57
CYP1A2 P05177 2/20 0.37
HCAR3 P49019 1/20 0.37
AR P10275 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KIF11 P52732 1/20 0.34
ELANE P08246 1/20 0.33
CYP2A6 P11509 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11414250 0.80 HCAR2 (0.53) HCAR2CYP1A2HCAR3DRD2SIGMAR1
SCHEMBL3100973 0.73 HCAR2 (1.00) HCAR2CYP1A2HCAR3
SCHEMBL3101214 0.71 HCAR2 (0.56) HCAR2CYP1A2HCAR3DRD2SIGMAR1
SCHEMBL5531839 0.70 HCAR2 (0.57) HCAR2CYP1A2HCAR3DRD2SIGMAR1
SCHEMBL3100362 0.69 HCAR2 (0.43) HCAR2CYP1A2HCAR3HTTDRD2
SCHEMBL15621142 0.68 HCAR2 (0.51) HCAR2HSD17B10SMN1; SMN2HTTKIF11
SCHEMBL3821094 0.67 HCAR2 (0.67) HCAR2CYP1A2HCAR3HSD17B10ALDH1A1
SCHEMBL5521792 0.67 HCAR2 (0.51) HCAR2CYP1A2HCAR3SMN1; SMN2DRD2
SCHEMBL5520638 0.67 HCAR2 (0.40) HCAR2CYP1A2HCAR3TSHRDRD2
SCHEMBL5522029 0.67 HCAR2 (0.41) HCAR2CYP1A2HCAR3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803837-B2 4-oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070161701-A1 4-oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-07-12 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-20070161701-A1 4-oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ABAT, G6PD, GLS2 HCAR2 229/4885CYP1A2 172/4885HCAR3 373/4885

“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.