SCHEMBL5204567

SCHEMBL5204567

CC(C)(C)OC(=O)C1(C(=O)O)CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
KDM1A O60341 4/20 0.37
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
PIN1 Q13526 3/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1I3 Q14994 1/20 0.35
GHSR Q92847 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
SCHEMBL433287 0.81 HDAC9 (0.50) HDAC9HCAR2KDM1ATDP1
SCHEMBL7434294 0.80 SMN1; SMN2 (0.48) HDAC9LMNA
Trimethylammonium SCHEMBL27680853 0.79 HDAC9 (0.45) HDAC9HCAR2KDM1ALMNATDP1
Biphenyl SCHEMBL27506403 0.77 HDAC9 (0.46) HDAC9HCAR2KDM1ATDP1
SCHEMBL5835084 0.74 GHSR (0.41) KDM1AGHSR
SCHEMBL9735969 0.74 HDAC9 (0.44) HDAC9HCAR2KDM1APIN1LMNA
SCHEMBL5211064 0.74 MAPK1 (0.36) HDAC9KDM1ALMNATDP1NR1I3
SCHEMBL306307 0.74 GHSR (0.43) HDAC9HCAR2KDM1ANR1I3GHSR
SCHEMBL4837190 0.74 GHSR (0.43) HDAC9HCAR2KDM1ANR1I3GHSR
SCHEMBL18614341 0.74 GHSR (0.43) HDAC9HCAR2KDM1ANR1I3GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558253-A4 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-07-25 EP disclosed
US-20050250814-A1 Piperidinyl-alpha-aminoamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-11-10 US disclosed
EP-1558253-A2 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004042351-A2 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 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 (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-20050250814-A1 Piperidinyl-alpha-aminoamide modulators of chemokine receptor activity CCR2, CCR1, CCRL2 HDAC9 1105/4885HCAR2 59/4885KDM1A 2628/4885

“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.