SCHEMBL10308293

SCHEMBL10308293

CCC(C)NC(=O)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
EPHX1 P07099 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 3/20 0.49
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NAAA Q02083 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL24567736 1.00 GAA (0.61) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL14241975 0.90 GAA (0.65) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL23480154 0.90 GAA (0.65) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL27639742 0.85 GAA (0.51) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL31017670 0.85 GAA (0.49) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL10307933 0.83 PSMB5 (0.52) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL15199110 0.83 GAA (0.58) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL15715059 0.83 GAA (0.49) GAACYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL27639734 0.82 NAAA (0.53) GAACYP2C19CYP2C9EPHX1SMN1; SMN2
SCHEMBL13746392 0.81 GAA (0.56) GAACYP2C19CYP2C9EPHX1SMN1; SMN2

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-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-8575199-B2 Formula (IA″) compounds comprising (piperidin-4-yl)pyridine or (1,2,3,6-tetrahydropyridin-4-4yl) as TRPV1 antagonists PURDUE PHARMA L.P. (US) 2013-11-05 US disclosed
CN-103189446-A Stereocomplex polylactic acid film and resin composition TEIJIN LTD 2013-07-03 CN disclosed
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-07-12 US disclosed
CN-102268157-A Polypropylene resin composition 2011-12-07 CN disclosed
CN-101568585-B Novel polyolefin resin composition and molded resin obtained therefrom NEW JAPAN CHEM CO LTD 2011-08-10 CN disclosed
CN-1898317-B Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD 2010-11-24 CN disclosed
CN-101568585-A Novel polyolefin resin composition and molded resin obtained therefrom NEW JAPAN CHEM CO LTD (JP) 2009-10-28 CN disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
CN-1898317-A Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD (JP) 2007-01-17 CN 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 (2 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-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 GAA 3083/4885CYP2C19 935/4885CYP2C9 1406/4885
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 GAA 3083/4885CYP2C19 935/4885CYP2C9 1406/4885

“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.