SCHEMBL3532945

SCHEMBL3532945

[CH2]CCc1ccc(C2=NCCN2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.71
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
TOP2A P11388 2/20 0.53
TOP2B Q02880 2/20 0.53
HTR1D P28221 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL3262379 0.86 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1724885 0.83 NISCH (0.71) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL4706553 0.83 NISCH (0.71) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL4754319 0.81 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL1936470 0.81 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL1935799 0.81 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL5476725 0.81 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL23902114 0.80 NISCH (0.67) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL10928251 0.80 NISCH (0.67) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1935161 0.79 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP claimed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO claimed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US claimed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US 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 (3 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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S NISCH 302/4885LMNA 3111/4885RECQL 1971/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS NISCH 109/4885LMNA 2962/4885RECQL 2883/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE NISCH 472/4885LMNA 3433/4885RECQL 1490/4885

“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.