SCHEMBL3322396

SCHEMBL3322396

CC(c1cn[nH]c1)N1CCN(c2nccnc2-c2cc(F)cc(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGA O60502 16/20 0.42
LRRK2 Q5S007 1/20 0.35
RPS6KB1 P23443 2/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3324121 0.89 RPS6KB1 (0.42) OGALRRK2RPS6KB1
Hydrochloric Acid SCHEMBL3319288 0.88 OGA (0.41) OGALRRK2RPS6KB1
SCHEMBL3320166 0.86 OGA (0.40) OGALRRK2RPS6KB1KCNH2
SCHEMBL3323689 0.84 SLC9A1 (0.39) OGALRRK2RPS6KB1
SCHEMBL3325330 0.84 OGA (0.41) OGALRRK2RPS6KB1
SCHEMBL3322908 0.84 OGA (0.41) OGALRRK2RPS6KB1
SCHEMBL3321856 0.83 RPS6KB1 (0.45) OGARPS6KB1
SCHEMBL3327150 0.83 RPS6KB1 (0.45) OGALRRK2RPS6KB1
Hydrochloric Acid SCHEMBL3323677 0.83 AURKA (0.40) OGALRRK2
Hydrochloric Acid SCHEMBL3324799 0.83 OGA (0.39) OGALRRK2RPS6KB1

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 3 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

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 OGA 4259/4885LRRK2 2416/4885RPS6KB1 1780/4885

“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.