SCHEMBL2332085

SCHEMBL2332085

CN(CCN1CCN(c2nccnc2-c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 3/20 0.44
▸ HTR1A P08908 6/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 6/20 0.39
▸ HTR7 P34969 4/20 0.39
▸ HTR6 P50406 4/20 0.39
▸ SQOR Q9Y6N5 1/20 0.39
▸ NAMPT P43490 1/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ADRA2C P18825 1/20 0.36

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
SCHEMBL2331541 0.88 GRIA1 (0.35) GRIA1HTR1ADRD2HTR7HTR6
SCHEMBL2587527 0.81 HRH3 (0.36) DRD2DRD4HRH3DRD3
SCHEMBL2332808 0.78 GRIA1 (0.65) GRIA1ALDH1A1SQOR
SCHEMBL12156804 0.76 SIGMAR1 (0.46) HTR1AMEN1KMT2ADRD2HTR7
Hydrochloric Acid SCHEMBL2335083 0.75 SIGMAR1 (0.46) HTR1AMEN1KMT2ADRD2HTR7
SCHEMBL2330967 0.73 POLB (0.43) HTR1ACYP3A4CYP2D6ADRA1AALDH1A1
SCHEMBL12156806 0.73 SIGMAR1 (0.39) GRIA1MEN1KMT2ADRD2HTR2A
SCHEMBL12156814 0.73 SMN1; SMN2 (0.45) HTR1AMEN1KMT2ADRD2HTR7
SCHEMBL12156815 0.73 PIK3CD (0.35) GRIA1HTR1ACYP3A4CYP2D6ADRA1A
Hydrochloric Acid SCHEMBL2332581 0.72 SIGMAR1 (0.39) GRIA1MEN1ALDH1A1BLMPMP22

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 237/4885HTR1A 2/4885CYP3A4 879/4885

“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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