SCHEMBL4832804

SCHEMBL4832804

CCC(=O)c1cc(C)c(C)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
HSD11B1 P28845 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
CXCR2 P25025 2/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CXCR1 P25024 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL4930586 0.89 TSHR (0.36) HMGCRHSD11B1DRD2DRD3DRD1
SCHEMBL4924151 0.89 TSHR (0.34) HMGCRHSD11B1DRD2DRD3DRD1
SCHEMBL14270838 0.83 HSD11B1 (0.45) HSD11B1DRD2DRD3DRD1DRD4
SCHEMBL3137679 0.79 PTGDR2 (0.42) LMNAHTTALDH1A1PTGDR2
SCHEMBL14240535 0.79 DRD2 (0.38) HSD11B1DRD2DRD3DRD1DRD4
SCHEMBL14065615 0.78 ABCB1 (0.45) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9080409 0.76 TSHR (0.43) LMNAALDH1A1
SCHEMBL6938167 0.76 DRD2 (0.34) HSD11B1DRD2DRD3DRD1DRD4
SCHEMBL9720676 0.74 HMGCR (0.58) HMGCRHTTHSP90AB1ALDH1A1
SCHEMBL3192377 0.73 NOTUM (0.42) HSD11B1LMNACXCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
EP-1773347-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1773347-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
US-20060128963-A1 Piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-06-15 US disclosed
EP-1648457-A2 PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-04-26 EP disclosed
WO-2006019787-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-02-23 WO disclosed
WO-2005009950-A2 PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-02-03 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 (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-20060128963-A1 Piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC1R HMGCR 4586/4885HSD11B1 3122/4885DRD2 115/4885
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MC4R, MC5R, MC3R HMGCR 3752/4885HSD11B1 2822/4885DRD2 172/4885

“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.