SCHEMBL3322684

SCHEMBL3322684

Cc1n[nH]cc1C(c1ccccc1)N1CCN(c2nccnc2-c2ccc(CCl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ACHE P22303 2/20 0.35
BACE1 P56817 1/20 0.35
NPSR1 Q6W5P4 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RPS6KB1 P23443 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL3319668 0.91 MEN1 (0.38) MEN1KMT2AACHEBACE1NPSR1
SCHEMBL3325588 0.91 MAPT (0.36) MEN1KMT2AACHEBACE1NPSR1
Hydrochloric Acid SCHEMBL3320444 0.90 MEN1 (0.38) MEN1KMT2AACHEBACE1NPSR1
Hydrochloric Acid SCHEMBL3322096 0.88 ABCC1 (0.33) MEN1KMT2AACHEBACE1NPSR1
SCHEMBL3322374 0.87 CYP19A1 (0.37) MEN1KMT2AACHEBACE1NPSR1
Hydrochloric Acid SCHEMBL3321180 0.87 RPS6KB1 (0.43) MEN1KMT2AACHEBACE1NPSR1
Hydrochloric Acid SCHEMBL3322662 0.85 LMNA (0.39) MEN1KMT2ANPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3327433 0.84 OPRD1 (0.43) MEN1KMT2AACHENPSR1ALDH1A1
SCHEMBL124436 0.82 NPSR1 (0.41) MEN1KMT2AACHEBACE1NPSR1
Hydrochloric Acid SCHEMBL3322783 0.80 NPY2R (0.35) MEN1KMT2AACHEBACE1ALDH1A1

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 MEN1 927/4885KMT2A 2273/4885ACHE 830/4885

“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.