SCHEMBL3582825

SCHEMBL3582825

CC1(C)CC(N)c2cc(Cl)cc(Cl)c2O1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
HTR2A P28223 1/20 0.42
AKR1B1 P15121 1/20 0.33

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
SCHEMBL8071341 0.81 CNR1 (0.47) CNR1CNR2HTR2AAKR1B1
SCHEMBL617759 0.78 HTR2A (0.32) CNR1CNR2HTR2A
SCHEMBL4347014 0.77 HTR2A (0.32) CNR1CNR2HTR2A
SCHEMBL6024993 0.74 CNR1 (0.48) CNR1CNR2HTR2A
SCHEMBL3409160 0.74 CNR1 (0.48) CNR1CNR2HTR2A
SCHEMBL23422963 0.74 KMT2A (0.36) CNR1CNR2HTR2AAKR1B1
Hydrochloric Acid SCHEMBL6559225 0.72 CNR1 (0.41) CNR1CNR2HTR2AAKR1B1
SCHEMBL3327843 0.72 CFTR (0.43) CNR1CNR2HTR2A
SCHEMBL3327837 0.72 CFTR (0.43) CNR1CNR2HTR2A
SCHEMBL15021646 0.72 TRPV1 (0.41) CNR1CNR2

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 CNR1 87/4885CNR2 12/4885HTR2A 1365/4885

“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.