SCHEMBL3603060

SCHEMBL3603060

N[C@@H]1CCOc2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.65
ADRA2A P08913 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTR2C P28335 3/20 0.37
AHR P35869 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL3603065 1.00 MAP3K14 (0.65) MAP3K14ADRA2AKDM4CTAAR1HTR2C
Hydrochloric Acid SCHEMBL31715418 0.98 MAP3K14 (0.63) MAP3K14ADRA2AKDM4CTAAR1HTR2C
SCHEMBL27859985 0.86 MAP3K14 (0.51) MAP3K14ADRA2ATAAR1AHRMAOB
SCHEMBL21436437 0.86 MAP3K14 (0.51) MAP3K14ADRA2ATAAR1AHRMAOB
SCHEMBL1265783 0.86 MAP3K14 (0.51) MAP3K14ADRA2ATAAR1AHRMAOB
Hydrochloric Acid SCHEMBL1066095 0.84 MAP3K14 (0.50) MAP3K14ADRA2ATAAR1HTR2CAHR
Hydrochloric Acid SCHEMBL30563619 0.84 MAP3K14 (0.50) MAP3K14ADRA2ATAAR1HTR2CAHR
Hydrochloric Acid SCHEMBL26962503 0.84 MAP3K14 (0.50) MAP3K14ADRA2ATAAR1HTR2CAHR
Hydrochloric Acid SCHEMBL1066097 0.84 MAP3K14 (0.50) MAP3K14ADRA2ATAAR1HTR2CAHR
SCHEMBL20554628 0.83 PTGDR2 (0.47) MAP3K14KDM4CMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S MAP3K14 1410/4885ADRA2A 880/4885KDM4C 987/4885

“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.