SCHEMBL4666770

SCHEMBL4666770

CC(Cl)Cl.CCOC(OCC)OCC

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.73
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.40
TSHR P16473 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
SCHEMBL18928 0.86 THRB (1.00) THRBLMNA
SCHEMBL14763948 0.86 THRB (1.00) THRBLMNA
Methylene Chloride SCHEMBL4405315 0.83 THRB (0.79) THRBLMNA
Ammonia Solution, Strong SCHEMBL28342116 0.82 THRB (0.92) THRBLMNA
Hydrochloric Acid SCHEMBL31648719 0.82 THRB (0.92) THRBLMNA
Calcium Chloride SCHEMBL27621196 0.80 THRB (0.73) THRBLMNA
Hydrazine SCHEMBL28022346 0.79 THRB (0.85) THRBLMNA
SCHEMBL195701 0.76
Alcohol SCHEMBL3582748 0.76 THRB (0.79) THRBLMNAALDH1A1TSHR
Chloroform SCHEMBL7162031 0.73 LMNA (0.50) THRBLMNAALDH1A1TSHR

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-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
EP-1791536-A1 1-[(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL]-PYRROLIDINE-(2R)-CARBOXYLIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-06-06 EP disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
EP-1604662-A1 1-[(3R)-Amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP 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-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 THRB 1637/4885LMNA 2300/4885ALDH1A1 382/4885

“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.