Sugi Predict

Sugi Predict / Compounds / SCHEMBL2244382

SCHEMBL2244382

SCHEMBL2244382

CCOc1ccc(CCC[C@@H](C(=O)N2CCC(c3ccc(F)cc3)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ DRD2 P14416 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ DRD5 P21918 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 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
SCHEMBL8270754 0.89 ACACB (0.41) DRD2DRD1DRD5HTR2ADRD3
SCHEMBL2249495 0.89 ACACB (0.41) DRD2DRD1DRD5HTR2ADRD3
SCHEMBL1828390 0.87 ALDH1A1 (0.41) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL2252368 0.85 MEN1 (0.37) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL1828213 0.84 MCHR1 (0.40) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL2241918 0.84 LIPE (0.40) MAPTACACBKMT2A
SCHEMBL1823887 0.83 MCHR1 (0.38) HTR2AADORA3HTR7OPRM1SIGMAR1
SCHEMBL2247202 0.83 ALDH1A1 (0.43) DRD2DRD1DRD5HTR2ADRD3
SCHEMBL1827719 0.83 KMT2A (0.46) DRD2HTR2AHRH1MAPTALDH1A1
SCHEMBL2253918 0.83 MAPT (0.46) DRD2DRD1DRD5HTR2ADRD3

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
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
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 ADAMTS5 1715/4885DRD2 2530/4885DRD1 2720/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ADAMTS5 1801/4885DRD2 2344/4885DRD1 2479/4885

“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.