SCHEMBL8869652

SCHEMBL8869652

O=C(O)CC(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CACNA2D1 P54289 2/20 0.55
CACNA1B Q00975 2/20 0.55
CACNB1 Q02641 2/20 0.55
CACNA1G O43497 1/20 0.55
CACNA1C Q13936 1/20 0.55
CTSA P10619 2/20 0.52
ACP3 P15309 1/20 0.51
TACR1 P25103 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
PNP P00491 2/20 0.48
CASR P41180 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL14767904 0.89 CTSA (0.47) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL18228755 0.87 TACR1 (0.58) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL18228875 0.87 TACR1 (0.58) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL18228863 0.87 TACR1 (0.58) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL8674095 0.86 MEN1 (0.54) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL14691472 0.84 MEN1 (0.54) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL6002264 0.83 GABBR2 (0.58) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL15614165 0.83 GABBR2 (0.58) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL8922507 0.83 CASR (0.52) MEN1KMT2ACACNA2D1CACNA1BCACNB1
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.82 GABBR2 (0.59) CACNA2D1CACNA1BCACNB1CACNA1CHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 CN disclosed
EP-3294718-B1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
EP-3294718-B1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
EP-3262026-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-18 EP disclosed
US-10428108-B2 Difluoroketamide derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-01 US disclosed
US-10428108-B2 Difluoroketamide derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-01 US disclosed
US-9980929-B2 Trifluoromethylpropanamide derivatives HOFFMAN-LA ROCHE INC. (US) 2018-05-29 US disclosed
EP-3294718-A1 NEW DIFLUOROKETAMIDE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-03-21 EP disclosed
US-20180057526-A1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-03-01 US disclosed
US-20180057526-A1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-03-01 US disclosed
US-20180057526-A1 NEW DIFLUOROKETAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-03-01 US disclosed
US-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-12-07 US disclosed
WO-2016180751-A1 NEW DIFLUOROKETAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 WO disclosed
WO-2016180751-A1 NEW DIFLUOROKETAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 WO disclosed
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 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 (3 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-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES PRMT7, GFRA3, PRMT5 MEN1 2006/4885KMT2A 768/4885CACNA2D1 3440/4885
US-20180057526-A1 NEW DIFLUOROKETAMIDE DERIVATIVES PRMT9, CDK9, FLT3 MEN1 1180/4885KMT2A 283/4885CACNA2D1 4144/4885
US-10428108-B2 Difluoroketamide derivatives PRMT9, CDK9, FLT3 MEN1 1193/4885KMT2A 188/4885CACNA2D1 4414/4885

“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.