SCHEMBL3323631

SCHEMBL3323631

Cc1cccc(-c2nccnc2N2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.53
HTR7 P34969 5/20 0.49
HTR2C P28335 2/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
HTR6 P50406 1/20 0.49
EPHX2 P34913 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
NISCH Q9Y2I1 1/20 0.43

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
SCHEMBL3321129 0.83 HTR7 (0.53) HTR7HTR2CHTR1AHTR1DHTR2A
SCHEMBL169211 0.82 HTR2C (0.55) ADRB1HTR7HTR2CHTR1AHTR2A
Hydrochloric Acid SCHEMBL3323594 0.80 HTR2C (0.54) ADRB1HTR7HTR2CHTR1AHTR2A
Hydrochloric Acid SCHEMBL3322312 0.79 MAPT (0.57) ADRB1HTR2CHTR1DHTR3AEPHX2
Hydrochloric Acid SCHEMBL3317536 0.78 ADRB1 (0.46) ADRB1HTR2CEPHX2
SCHEMBL1370255 0.76 MAPK14 (0.53) NISCH
SCHEMBL3319564 0.75 ADRB1 (0.51) ADRB1HTR2CEPHX2
SCHEMBL4582036 0.75 ADRB1 (0.54) ADRB1HTR7HTR2CHTR1AHTR1D
SCHEMBL14488368 0.75 ADRB1 (0.50) ADRB1HTR7HTR2CHTR1AHTR1D
SCHEMBL23601164 0.73 KCNH2 (0.57) ADRB1HTR7HTR2CHTR1AHTR1D

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 ADRB1 67/4885HTR7 1/4885HTR2C 2/4885

“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.