SCHEMBL3322952

SCHEMBL3322952

Cc1n[nH]c(C)c1C(c1ccccc1)N1CCN(c2nccnc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
EGFR P00533 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
TP53 P04637 3/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ACHE P22303 1/20 0.37

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 SCHEMBL3322978 0.86 KDM4E (0.44) KDM4ENPSR1ALDH1A1GAAEGFR
Hydrochloric Acid SCHEMBL3324346 0.83 KDM4E (0.38) KDM4ENPSR1ALDH1A1GAAEGFR
Hydrochloric Acid SCHEMBL3320993 0.82 ALDH1A1 (0.39) KDM4ENPSR1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL3321146 0.82 RPS6KB1 (0.43) KDM4ENPSR1ALDH1A1GAAMAPT
SCHEMBL3318966 0.82 LRRK2 (0.34) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL123935 0.81 PDE10A (0.39) TP53
SCHEMBL124436 0.80 NPSR1 (0.41) KDM4ENPSR1ALDH1A1GAAEGFR
SCHEMBL3317828 0.80 ALDH1A1 (0.47) KDM4ENPSR1ALDH1A1GAAEGFR
Hydrochloric Acid SCHEMBL3327180 0.78 RPS6KB1 (0.42) KDM4ENPSR1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL3323781 0.77 ABCC1 (0.33) KDM4ENPSR1ALDH1A1GAAMAPT

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 KDM4E 1816/4885NPSR1 59/4885ALDH1A1 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.