SCHEMBL3322210

SCHEMBL3322210

COc1ccc(-c2nccnc2N2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.55
ADRB1 P08588 2/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
SIGMAR1 Q99720 1/20 0.55
PIK3CD O00329 2/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CG P48736 2/20 0.53
HTR1A P08908 3/20 0.52
HTR7 P34969 3/20 0.52
HTR2B P41595 2/20 0.52
HTR1B P28222 1/20 0.52
HTR6 P50406 1/20 0.52
USP2 O75604 4/20 0.49
CYP1A2 P05177 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49

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
SCHEMBL3322547 0.86 CACNA2D1 (0.51) PIK3CDPIK3CAPIK3CGALDH1A1KMT2A
SCHEMBL3321554 0.85 LRRK2 (0.46) PIK3CDPIK3CAPIK3CGTGFBR1
SCHEMBL3322721 0.82 EPHX2 (0.48) HTR2BALDH1A1KDM4EGAA
SCHEMBL2334070 0.82 GRIA1 (0.40) HTR6ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL3320427 0.81 GRIA1 (0.39) ALDH1A1HPGDKDM4E
SCHEMBL2332411 0.80 GRIA1 (0.56) HTR3AHTR1AHTR7HTR2BHTR6
SCHEMBL3319430 0.80 HTR3A (0.51) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL169211 0.80 HTR2C (0.55) HTR3AADRB1HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL2332369 0.79 GRIA1 (0.55) HTR3AHTR1AHTR7HTR2BHTR6
Hydrochloric Acid SCHEMBL3323594 0.78 HTR2C (0.54) HTR3AADRB1HTR3EHTR3BHTR3D

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 HTR3A 8/4885ADRB1 67/4885HTR3E 19/4885

“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.