SCHEMBL1005089

SCHEMBL1005089

C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CCN1C(=O)C[C@H](O)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.50
CHRM1 P11229 7/20 0.50
CHRM3 P20309 4/20 0.50
CHRM5 P08912 3/20 0.50
CHRM4 P08173 4/20 0.44
CXCR3 P49682 1/20 0.42
LIPE Q05469 1/20 0.40
CACNA1B Q00975 1/20 0.40
EPHX2 P34913 1/20 0.39
PPARD Q03181 1/20 0.38
KIT P10721 2/20 0.38

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
SCHEMBL2244006 0.82 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL8273018 0.82 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL1003701 0.82 CTSB (0.41) CHRM2CHRM1CHRM4
SCHEMBL2244519 0.81 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL8271444 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL2249606 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL2243961 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL27680766 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL2251211 0.75 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL2247465 0.73 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844032-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-07-13 EP claimed
US-7868009-B2 N-hydroxyamide derivatives and use thereof Merck Serono, S.A. (CH) 2011-01-11 US claimed
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO S.A. (CH) 2008-04-17 US claimed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
EP-1844032-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-07-13 EP disclosed
EP-1844032-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-07-13 EP disclosed
US-20110086864-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-20110086864-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-20110086864-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-7868009-B2 N-hydroxyamide derivatives and use thereof Merck Serono, S.A. (CH) 2011-01-11 US disclosed
US-7868009-B2 N-hydroxyamide derivatives and use thereof Merck Serono, S.A. (CH) 2011-01-11 US disclosed
US-7868009-B2 N-hydroxyamide derivatives and use thereof Merck Serono, S.A. (CH) 2011-01-11 US disclosed
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO S.A. (CH) 2008-04-17 US disclosed
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO S.A. (CH) 2008-04-17 US disclosed
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO S.A. (CH) 2008-04-17 US disclosed
EP-1844032-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2007-10-17 EP disclosed
WO-2006079653-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-08-03 WO disclosed
WO-2006079653-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-08-03 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 (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-20110086864-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD CHRM2 531/4885CHRM1 767/4885CHRM3 667/4885
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof HNMT, ALOX5, HCAR2 CHRM2 801/4885CHRM1 920/4885CHRM3 897/4885

“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.