SCHEMBL3321164

SCHEMBL3321164

FC(F)(F)c1ccc(-c2nccnc2N2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
ADRB1 P08588 3/20 0.51
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
HTR1D P28221 2/20 0.43
HTR2C P28335 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL2332411 0.83 GRIA1 (0.56) EPHX2HTR1DHTR2CHTR3AKCNH2
Hydrochloric Acid SCHEMBL3322312 0.82 MAPT (0.57) EPHX2ADRB1ADRB2NCF1HTR1D
Hydrochloric Acid SCHEMBL2332369 0.82 GRIA1 (0.55) EPHX2HTR1DHTR2CHTR3AKCNH2
SCHEMBL13372782 0.82 EPHX2 (0.62) EPHX2ADRB1ADRB2NCF1
SCHEMBL3322721 0.82 EPHX2 (0.48) EPHX2HTR2CALDH1A1MAPT
SCHEMBL3319430 0.80 HTR3A (0.51) EPHX2ADRB1ADRB2NCF1HTR1D
SCHEMBL3317777 0.80 EPHX2 (0.56) EPHX2ADRB1NCF1SIGMAR1KCNH2
SCHEMBL169211 0.80 HTR2C (0.55) EPHX2ADRB1HTR2CHTR3EHTR3B
SCHEMBL31474533 0.79 EPHX2 (0.51) EPHX2ADRB1ADRB2NCF1HTR1D
SCHEMBL26104844 0.79 EPHX2 (0.51) EPHX2ADRB1ADRB2NCF1HTR1D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206722-A1 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE 2025-06-26 US disclosed
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 CN disclosed
EP-4496570-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS The Scripps Research Institute (US) 2025-01-29 EP disclosed
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 WO disclosed
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 WO disclosed
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 (2 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-20250206722-A1 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS YAP1, TEAD1, TEAD2 EPHX2 4238/4885ADRB1 2436/4885ADRB2 3001/4885
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 EPHX2 1569/4885ADRB1 67/4885ADRB2 55/4885

“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.