SCHEMBL6897589

SCHEMBL6897589

CC(C)(C)OC(=O)N1CCSCC1C=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
CTSK P43235 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6897583 1.00 PREP (0.38) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL16857528 0.84 ATM (0.39) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL5307200 0.84 ATM (0.39) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL3199170 0.84 ATM (0.39) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL29454763 0.80 PREP (0.40) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL585158 0.80 PREP (0.40) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL21360449 0.80 PREP (0.40) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL4942816 0.79 PREP (0.36) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL4940158 0.79 PREP (0.36) PREPSMN1; SMN2USP2CTSKHSD17B10
SCHEMBL2030521 0.79 HSD17B10 (0.41) SMN1; SMN2USP2CTSKHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2016-11-10 US disclosed
EP-2882718-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2015-06-17 EP disclosed
US-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2015-06-11 US disclosed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
WO-2014023258-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 US disclosed
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 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 (4 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-20150158851-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PREP 925/4885SMN1; SMN2 2434/4885USP2 4310/4885
US-20160326142-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE CYP3A5, GLP1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PREP 925/4885SMN1; SMN2 2434/4885USP2 4310/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 PREP 2743/4885SMN1; SMN2 4016/4885USP2 3045/4885
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 PREP 1059/4885SMN1; SMN2 3573/4885USP2 4330/4885

“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.