SCHEMBL3323482

SCHEMBL3323482

Fc1ccc(-c2nccnc2N2CCN(C(c3ccc(F)cc3)c3cn[nH]c3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
MAPT P10636 1/20 0.39
RPS6KB1 P23443 12/20 0.38
POLB P06746 1/20 0.37
OPRK1 P41145 1/20 0.36
AKT1S1 Q96B36 1/20 0.35

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
Hydrochloric Acid SCHEMBL3325655 0.94 RPS6KB1 (0.43) ACHEMAPTRPS6KB1POLBOPRK1
Hydrochloric Acid SCHEMBL3319288 0.86 OGA (0.41) MAPTRPS6KB1
Hydrochloric Acid SCHEMBL3322849 0.85 MAPT (0.40) ACHEMAPTRPS6KB1OPRK1
Hydrochloric Acid SCHEMBL3323470 0.84 RPS6KB1 (0.35) ACHEMAPTRPS6KB1AKT1S1
Hydrochloric Acid SCHEMBL3323644 0.84 LMNA (0.38) MAPTRPS6KB1
SCHEMBL3322216 0.84 RPS6KB1 (0.42) MAPTRPS6KB1
Hydrochloric Acid SCHEMBL3320705 0.83 RPS6KB1 (0.41) MAPTRPS6KB1
Hydrochloric Acid SCHEMBL3322993 0.83 RPS6KB1 (0.39) RPS6KB1AKT1S1
SCHEMBL3321396 0.82 RPS6KB1 (0.40) RPS6KB1AKT1S1
Hydrochloric Acid SCHEMBL3325771 0.81 RPS6KB1 (0.40) RPS6KB1AKT1S1

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 ACHE 830/4885MAPT 2476/4885RPS6KB1 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.