SCHEMBL3596638

SCHEMBL3596638

COc1cccc2c1OC(C)(C)CC2N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 3/20 0.37
HTR2B P41595 3/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
LMNA P02545 2/20 0.35
KDM1A O60341 1/20 0.35
TERT O14746 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
SCHEMBL3326659 0.83 ALDH1A1 (0.35) ALDH1A1HTR2BHTR2CHTR2ALMNA
SCHEMBL3326664 0.83 ALDH1A1 (0.35) ALDH1A1HTR2BHTR2CHTR2ALMNA
SCHEMBL22439181 0.80 CNR1 (0.33)
SCHEMBL10586186 0.79 ALDH1A1 (0.45) ALDH1A1HPGDLMNA
SCHEMBL3323057 0.78 TRPV1 (0.40) ALDH1A1HTR2BHTR2CKDM1A
SCHEMBL3323061 0.78 TRPV1 (0.40) ALDH1A1HTR2BHTR2CKDM1A
SCHEMBL3581276 0.76 ALDH1A1 (0.35) ALDH1A1HPGDHTR2CHTR2ADRD2
SCHEMBL3322442 0.75 TRPV1 (0.43) HTR2BHTR2CKDM1A
SCHEMBL3322451 0.75 TRPV1 (0.43) HTR2BHTR2CKDM1A
SCHEMBL11274035 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHTR2BHTR2CHTR2A

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 ALDH1A1 158/4885HPGD 50/4885HTR2B 1712/4885

“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.