SCHEMBL4498053

SCHEMBL4498053

CCOC(=O)c1[nH]nc2c1CC1C2C12CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
AURKA O14965 1/20 0.37
MAPK10 P53779 1/20 0.37
RIPK1 Q13546 1/20 0.37
HSD17B10 Q99714 2/20 0.35
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HTR2B P41595 2/20 0.33
BRD4 O60885 1/20 0.33
HSD17B1 P14061 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
MAPT P10636 3/20 0.33
CDC25B P30305 1/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL4479606 0.99 HCAR2 (0.44) HCAR2AURKAMAPK10RIPK1HSD17B10
SCHEMBL4478447 0.83 HCAR2 (0.44) HCAR2AURKAMAPK10RIPK1HSD17B10
SCHEMBL13631516 0.83 HCAR2 (0.44) HCAR2AURKAMAPK10RIPK1HSD17B10
SCHEMBL13631812 0.82 HCAR2 (0.49) HCAR2
SCHEMBL4479721 0.81 HCAR2 (0.57) HCAR2
SCHEMBL13631804 0.81 HCAR2 (0.50) HCAR2
SCHEMBL4491873 0.81 HCAR2 (0.57) HCAR2
SCHEMBL4491836 0.79 HCAR2 (0.58) HCAR2HSD17B10ALDH1A1KDM4E
SCHEMBL4496404 0.79 HCAR2 (0.58) HCAR2HSD17B10ALDH1A1KDM4E
SCHEMBL13673279 0.79 HCAR2 (0.65) HCAR2PDE4DHSD17B1MAPTKDM4E

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
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 HCAR2 300/4885AURKA 3931/4885MAPK10 4448/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885AURKA 3931/4885MAPK10 4448/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 HCAR2 300/4885AURKA 3931/4885MAPK10 4448/4885

“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.