SCHEMBL2330967

SCHEMBL2330967

CN(CCN1CCN(c2cccnc2Cl)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ HTR1A P08908 5/20 0.42
▸ ADRA1A P35348 4/20 0.42
▸ DRD4 P21917 3/20 0.42
▸ ADRA1D P25100 3/20 0.42
▸ ADRA1B P35368 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2587527 0.85 HRH3 (0.36) POLBDRD2DRD4
SCHEMBL27874051 0.80 DRD2 (0.45) POLBDRD2HTR1AADRA1AGAA
SCHEMBL31491303 0.79 HRH3 (0.39) DRD4
SCHEMBL123592 0.76 POLB (0.71) POLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL22644624 0.75 HRH3 (0.46) DRD2DRD4HTR7GAAGFER
SCHEMBL22644671 0.75 SLC6A2 (0.44) DRD2HTR1ADRD4ALDH1A1
SCHEMBL25272575 0.74 PPARG (0.45) DRD2HTR1ADRD4HTR7
SCHEMBL31570895 0.74 PPARG (0.45) DRD2HTR1ADRD4HTR7
SCHEMBL2332085 0.73 GRIA1 (0.44) DRD2HTR1AADRA1ADRD4CYP3A4
SCHEMBL25228640 0.73 HRH3 (0.46) DRD2HTR1ADRD4HTR7SMN1; SMN2

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 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-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2010-05-26 — — 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
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
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 POLB 4088/4885DRD2 319/4885HTR1A 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.

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