Sugi Predict

Sugi Predict / Compounds / SCHEMBL2249507

SCHEMBL2249507

SCHEMBL2249507

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.37
▸ MC4R P32245 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HTR1A P08908 3/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DRD2 P14416 4/20 0.35
▸ THRB P10828 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL2248042 0.90 MAPT (0.38) TSHRMC4RATMHTR7ADORA3
SCHEMBL1827719 0.89 KMT2A (0.46) TSHRHTR2AHSD17B10DRD2MAPT
SCHEMBL8292853 0.89 KMT2A (0.46) TSHRHTR2AHSD17B10DRD2MAPT
SCHEMBL2244415 0.89 LMNA (0.43) TSHRNPSR1USP2HSD17B10MAPT
SCHEMBL2245954 0.85 PANK3 (0.44) —
SCHEMBL1828390 0.85 ALDH1A1 (0.41) TSHRHTR7ADORA3HTR2AOPRM1
SCHEMBL2247475 0.84 LMNA (0.42) MAPTPKMMAPK1CYP2C9MEN1
SCHEMBL8270754 0.83 ACACB (0.41) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2249495 0.83 ACACB (0.41) HTR7ADORA3HTR2AOPRM1SIGMAR1
SCHEMBL2551732 0.82 MC4R (0.36) TSHRMC4RGRM5HSD17B10MAPT

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 TSHR 3376/4885MC4R 3600/4885ATM 4273/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD TSHR 3346/4885MC4R 3524/4885ATM 4276/4885

“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.