SCHEMBL3322641

SCHEMBL3322641

CCOC(=O)Cc1c(CC)nn(CC)c1CC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
PTGDR2 Q9Y5Y4 13/20 0.43
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL14632327 0.80 PTGDR2 (0.55) PTGDR2
SCHEMBL508886 0.79 PTGDR2 (0.54) PTGDR2
SCHEMBL509094 0.75 PTGDR2 (0.57) PTGDR2
SCHEMBL11247781 0.75 ALDH1A1 (0.52) RECQLALDH1A1HSD17B10KDM4EHPGD
SCHEMBL17765592 0.74 PTGDR2 (0.35) PTGDR2
SCHEMBL3323539 0.72 ALDH1A1 (0.47) RECQLALDH1A1HSD17B10KDM4EHPGD
SCHEMBL25664507 0.70 GAA (0.57) ALDH1A1HSD17B10KDM4EPKMATM
SCHEMBL509592 0.69 PTGDR2 (0.54) RECQLPTGDR2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL14556069 0.67 KDM4E (0.51) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL23398622 0.65 ALOX15 (0.31)

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
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 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-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 RECQL 2620/4885PTGDR2 198/4885ALDH1A1 1205/4885

“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.