SCHEMBL3323487

SCHEMBL3323487

Cc1nn(C)cc1CN1CCN(c2nccnc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
AURKA O14965 3/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FLT3 P36888 1/20 0.38
AURKB Q96GD4 1/20 0.38
NPC1 O15118 1/20 0.38
RET P07949 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
SCHEMBL3317484 0.85 POLB (0.42) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL3321017 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL124437 0.81 DRD4 (0.70) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL3321740 0.81 KMT2A (0.52) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL9961766 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL9961776 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL3323557 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL3322884 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL3319415 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL172196 0.80 KMT2A (0.41) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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 ALDH1A1 1205/4885KDM4E 1816/4885L3MBTL1 4103/4885

“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.