SCHEMBL2248993

SCHEMBL2248993

CC(C)C[C@H](C(=O)N1CC=C(c2ccc(Cl)cc2)CC1)[C@@H](O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.54
CNR1 P21554 1/20 0.53
SIGMAR1 Q99720 2/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 4/20 0.41
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
NPC1 O15118 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
QDPR P09417 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
SCHEMBL2550364 1.00 CCR1 (0.54) CCR1CNR1SIGMAR1KCNH2HRH3
SCHEMBL2549704 0.91 KCNH2 (0.52) CCR1CNR1KCNH2HRH3NAMPT
SCHEMBL2246819 0.91 KCNH2 (0.52) CCR1CNR1KCNH2HRH3NAMPT
SCHEMBL2252888 0.90 NPC1 (0.48) CCR1CNR1SIGMAR1KCNH2HRH3
SCHEMBL2546549 0.90 NPC1 (0.48) CCR1CNR1SIGMAR1KCNH2HRH3
SCHEMBL2551945 0.89 MMP1 (0.53) CCR1CNR1SIGMAR1MAPTLMNA
SCHEMBL2249241 0.89 MMP1 (0.53) CCR1CNR1SIGMAR1MAPTLMNA
SCHEMBL2545082 0.80 MMP2 (0.55) CCR1KCNH2HRH3MAPTNAMPT
SCHEMBL2249633 0.80 MMP2 (0.55) CCR1KCNH2HRH3MAPTNAMPT
SCHEMBL2546779 0.78 MMP1 (0.53) CCR1SIGMAR1MAPTNAMPTNPC1

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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP 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 CCR1 1292/4885CNR1 262/4885SIGMAR1 1801/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD CCR1 1287/4885CNR1 249/4885SIGMAR1 1849/4885

“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.