SCHEMBL6101336

SCHEMBL6101336

CCC1CCc2occc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
HTR2C P28335 4/20 0.48
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP27A1 Q02318 1/20 0.32
CYP24A1 Q07973 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP26A1 O43174 1/20 0.31

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
SCHEMBL8231663 0.83 HTR2C (0.49) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL23553374 0.83 POLB (0.46) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL8197492 0.80 HSD17B10 (0.46) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL6101885 0.78 POLB (0.38) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL6101890 0.78 POLB (0.38) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL6101887 0.77 HSD17B10 (0.53) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL28738866 0.72 HSD17B10 (0.67) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL6198308 0.72 HSD17B10 (0.58) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL29956662 0.71 HSD17B10 (0.50) HSD17B10POLBGAAHTR2CKDM4E
SCHEMBL21625169 0.70 HSD17B10 (0.55) HSD17B10POLBGAAHTR2CKDM4E

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-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A HSD17B10 982/4885POLB 4294/4885GAA 3613/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A HSD17B10 982/4885POLB 4294/4885GAA 3613/4885

“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.