SCHEMBL2249128

SCHEMBL2249128

C[C@@H]1CN(c2ccc3c(c2)OC(F)(F)O3)CCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ACACB O00763 2/20 0.43
KHK P50053 2/20 0.43
MCHR1 Q99705 2/20 0.42
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
HTR2C P28335 1/20 0.39
BCL2A1 Q16548 2/20 0.39
GRM2 Q14416 1/20 0.38
CYP17A1 P05093 1/20 0.37
CHEK1 O14757 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL5276757 1.00 MAPT (0.46) MAPTACACBKHKMCHR1CHRM2
SCHEMBL14922242 0.80 ADRB1 (0.47) MAPTHTR2CALDH1A1
SCHEMBL2248371 0.79 MAPT (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL5271800 0.79 MAPT (0.46) MAPTKHKBCL2A1ALDH1A1
SCHEMBL29671585 0.75 S100B (0.43) MAPTACACBMCHR1CHRM2CHRM1
SCHEMBL14922288 0.74 KDM4E (0.49) MAPTACACBALDH1A1
SCHEMBL20159005 0.74 MAPT (0.49) MAPTACACBKHKHTR2CBCL2A1
SCHEMBL8110875 0.74 MAPT (0.49) MAPTACACBKHKHTR2CBCL2A1
SCHEMBL8271862 0.73 CHEK1 (0.46) MAPTACACBKHKBCL2A1CHEK1
SCHEMBL2252356 0.73 CHEK1 (0.46) MAPTACACBKHKBCL2A1CHEK1

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US claimed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 CN disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 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 (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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD MAPT 2854/4885ACACB 706/4885KHK 2364/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD MAPT 2896/4885ACACB 687/4885KHK 2324/4885

“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.