SCHEMBL2249055

SCHEMBL2249055

COc1ccc(F)c(N2CCN[C@H](C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.46
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTR2C P28335 1/20 0.40
CPS1 P31327 2/20 0.39
ADRB1 P08588 3/20 0.39
BRPF1 P55201 2/20 0.39
BRD4 O60885 1/20 0.39
FFAR1 O14842 6/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL12182691 0.89 HTR3E (0.47) BIRC2HTR3EHTR3BHTR3AHTR3D
SCHEMBL12182647 0.89 HTR3E (0.47) BIRC2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8105221 0.84 HTR3A (0.51) BIRC2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8105955 0.83 ALDH1A1 (0.50) BIRC2HTR3EHTR3BHTR3AHTR3D
SCHEMBL6023527 0.83 BIRC2 (0.46) BIRC2HTR3EHTR3BHTR3AHTR3D
SCHEMBL5631643 0.82 XIAP (0.45) ALDH1A1LMNAHTR2CBRPF1BRD4
SCHEMBL5631645 0.82 XIAP (0.45) ALDH1A1LMNAHTR2CBRPF1BRD4
SCHEMBL4573059 0.82 HTR3A (0.48) BIRC2HTR3EHTR3BHTR3AHTR3D
SCHEMBL8108211 0.80 BRPF1 (0.43) ALDH1A1LMNAHTR2CBRPF1BRD4
SCHEMBL2246683 0.76 NOTUM (0.48) ALDH1A1LMNAHTR2C

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 9 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
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
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD BIRC2 3858/4885HTR3E 497/4885HTR3B 307/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD BIRC2 3763/4885HTR3E 518/4885HTR3B 326/4885

“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.