SCHEMBL2332524

SCHEMBL2332524

CNCCN1CCN(c2nccnc2-c2ccc(COC)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 14/20 0.44
▸ PRMT6 Q96LA8 14/20 0.44
▸ PRMT8 Q9NR22 2/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PRMT3 O60678 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ ADRA1A P35348 1/20 0.34

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 SCHEMBL3149253 0.99 CARM1 (0.43) CARM1PRMT6PRMT8TMEM97SIGMAR1
Cadaverine Tartrate SCHEMBL3157298 0.90 CARM1 (0.39) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL2335598 0.87 MAP4K1 (0.37) CARM1PRMT6MAP4K1PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3149246 0.86 MAP4K1 (0.36) CARM1PRMT6MAP4K1PIK3CDPIK3CA
SCHEMBL2334161 0.86 MEN1 (0.40) CARM1PRMT6PIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL3144498 0.85 MEN1 (0.39) CARM1PRMT6PIK3CDPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL3149375 0.85 PIK3CD (0.48) SIGMAR1PIK3CDPIK3CAPIK3CGHTR1A
Hydrochloric Acid SCHEMBL3152891 0.84 HTR1A (0.47) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL2336011 0.83 CARM1 (0.43) CARM1PRMT6HRH3HTR1A
Hydrochloric Acid SCHEMBL3153060 0.82 CARM1 (0.43) CARM1PRMT6HRH3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188268-B1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-08-17 — — EP claimed
EP-2188268-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2010-05-26 — — EP claimed
US-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 — — US claimed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 — — WO claimed
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 CARM1 1478/4885PRMT6 519/4885PRMT8 422/4885

“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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