SCHEMBL2248065

SCHEMBL2248065

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3F)CC2)[C@@H]2OC([13CH3])([13CH3])OC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
GRM5 P41594 1/20 0.36
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPY2R P49146 1/20 0.34

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
SCHEMBL2551732 1.00 MC4R (0.36) MC4RLMNATP53GRM5MC5R
SCHEMBL8292853 0.90 KMT2A (0.46) LMNATP53MAPTSMN1; SMN2MEN1
SCHEMBL1827719 0.90 KMT2A (0.46) LMNATP53MAPTSMN1; SMN2MEN1
SCHEMBL2247475 0.89 LMNA (0.42) LMNATP53MAPTSMN1; SMN2MEN1
SCHEMBL2248042 0.87 MAPT (0.38) MC4RLMNATP53MAPTSMN1; SMN2
SCHEMBL2250334 0.85 ME2 (0.40) LMNATP53MAPTSMN1; SMN2MEN1
SCHEMBL2249495 0.85 ACACB (0.41) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8270754 0.85 ACACB (0.41) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1828390 0.84 ALDH1A1 (0.41) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2247755 0.83 ADORA2A (0.35) LMNATP53MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD MC4R 3524/4885LMNA 1655/4885TP53 2496/4885

“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.