Sugi Predict

Sugi Predict / Compounds / SCHEMBL2244670

SCHEMBL2244670

SCHEMBL2244670

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(CCN3CCOCC3)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HRH2 P25021 3/20 0.40
▸ HRH1 P35367 3/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ TACR2 P21452 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ ADRA1D P25100 1/20 0.40

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
SCHEMBL1828390 0.89 ALDH1A1 (0.41) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL2245554 0.88 OPRM1 (0.41) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL2247475 0.86 LMNA (0.42) KDM4EMAPTLMNAKMT2AMEN1
SCHEMBL2249495 0.85 ACACB (0.41) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL8270754 0.85 ACACB (0.41) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL2247202 0.85 ALDH1A1 (0.43) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL2253918 0.84 MAPT (0.46) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL2252368 0.84 MEN1 (0.37) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL2247318 0.83 MAPT (0.47) CACNA1BALDH1A1MAPT
SCHEMBL2248042 0.83 MAPT (0.38) ADORA3HTR2AHTR7OPRM1SIGMAR1

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 ADORA3 1397/4885HTR2A 344/4885HTR7 382/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ADORA3 1447/4885HTR2A 334/4885HTR7 394/4885

“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.