SCHEMBL2333978

SCHEMBL2333978

COCc1ccc(-c2nccnc2N2CCN(CCN(C)S(=O)(=O)c3cnn(C)c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.38
HTR7 P34969 7/20 0.38
DRD2 P14416 6/20 0.38
HTR2A P28223 6/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
PIK3CB P42338 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
NAMPT P43490 2/20 0.32
MAP4K1 Q92918 1/20 0.32
NMT1 P30419 1/20 0.32
CFTR P13569 1/20 0.32
TTK P33981 1/20 0.32
MALT1 Q9UDY8 1/20 0.31

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
Hydrochloric Acid SCHEMBL2332796 0.99 HTR1A (0.37) HTR1AHTR7DRD2HTR2APIK3CD
Cadaverine Tartrate SCHEMBL2331481 0.93 HTR1A (0.35) HTR1AHTR7DRD2HTR2APIK3CD
SCHEMBL2332302 0.91 HTR1A (0.37) HTR1AHTR7DRD2HTR2APIK3CD
SCHEMBL2336452 0.89 HTR1A (0.39) HTR1AHTR7DRD2HTR2APIK3CD
SCHEMBL12156828 0.89 PIK3CD (0.48) HTR1AHTR7DRD2HTR2APIK3CD
SCHEMBL12156846 0.89 HTR7 (0.40) HTR1AHTR7DRD2HTR2APIK3CD
SCHEMBL12156834 0.89 HTR1A (0.36) HTR1AHTR7DRD2HTR2APIK3CD
Hydrochloric Acid SCHEMBL2334757 0.89 HTR1A (0.38) HTR1AHTR7DRD2HTR2APIK3CD
Hydrochloric Acid SCHEMBL2332468 0.89 PIK3CD (0.47) HTR1AHTR7DRD2HTR2APIK3CD
SCHEMBL12156798 0.88 PIK3CD (0.42) HTR1AHTR7DRD2HTR2APIK3CD

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-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US claimed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP claimed
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-8048884-B2 Substituted piperazinyl pyrazines and pyridines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 EP disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 US disclosed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 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-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C HTR1A 2/4885HTR7 1/4885DRD2 319/4885

“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.