SCHEMBL2334161

SCHEMBL2334161

CNCCN1CCN(c2nccnc2-c2ccc(CO)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CARM1 Q86X55 5/20 0.38
▸ PRMT6 Q96LA8 5/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ RET P07949 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ CHKA P35790 1/20 0.35
▸ MAP2K4 P45985 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 SCHEMBL3144498 0.99 MEN1 (0.39) MEN1KMT2ACARM1PRMT6KDM1A
SCHEMBL2332524 0.86 CARM1 (0.44) CARM1PRMT6PIK3CDPIK3CAPIK3CG
SCHEMBL2336011 0.85 CARM1 (0.43) CARM1PRMT6HTR1A
SCHEMBL2334157 0.85 MEN1 (0.35) MEN1KMT2AKDM1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3149253 0.85 CARM1 (0.43) CARM1PRMT6PIK3CDPIK3CAPIK3CG
SCHEMBL3156532 0.85 HTR1A (0.47) HTR1AHTR7
Hydrochloric Acid SCHEMBL3153060 0.84 CARM1 (0.43) CARM1PRMT6HTR1A
Hydrochloric Acid SCHEMBL3154913 0.84 RET (0.37) MEN1KMT2ACARM1PRMT6RET
Hydrochloric Acid SCHEMBL3144491 0.84 KDM4E (0.37) MEN1KMT2AKDM1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3153003 0.83 HRH3 (0.45) CARM1PRMT6KDM4EALDH1A1

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 7 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
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 MEN1 497/4885KMT2A 1192/4885CARM1 1478/4885

“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.

Send feedback