SCHEMBL2331541

SCHEMBL2331541

COCc1ccc(-c2nccnc2N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FRK P42685 1/20 0.34
▸ BLK P51451 1/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL2332085 0.88 GRIA1 (0.44) GRIA1HTR1AHTR7DRD2HTR6
SCHEMBL2333433 0.80 GPR119 (0.52) GRIA1GPR119TLR9TLR7
SCHEMBL2587527 0.79 HRH3 (0.36) DRD2PDE10A
SCHEMBL12156798 0.76 PIK3CD (0.42) SIGMAR1HTR1AHTR7DRD2PIK3CD
Hydrochloric Acid SCHEMBL2336543 0.75 PIK3CD (0.42) SIGMAR1HTR1AHTR7DRD2PIK3CD
SCHEMBL2332524 0.75 CARM1 (0.44) SIGMAR1HTR1APIK3CDPIK3CAPIK3CG
SCHEMBL12156800 0.75 SIGMAR1 (0.40) SIGMAR1HTR1AHTR7DRD2PIK3CD
SCHEMBL12156838 0.74 MEN1 (0.36) SIGMAR1PIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL2334496 0.74 SIGMAR1 (0.39) SIGMAR1HTR1AHTR7DRD2PIK3CD
SCHEMBL2333978 0.74 HTR1A (0.38) SIGMAR1HTR1AHTR7DRD2PIK3CD

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
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
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 GRIA1 237/4885SIGMAR1 291/4885ABL1 3253/4885

“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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