SCHEMBL809853

SCHEMBL809853

CS(=O)(=O)NC[C@@H]1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
FDPS P14324 2/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32

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
SCHEMBL13247696 1.00 KMT2A (0.33) KMT2ACHRNB2CHRNA4DPP4PREP
SCHEMBL809706 1.00 KMT2A (0.33) KMT2ACHRNB2CHRNA4DPP4PREP
Hydrochloric Acid SCHEMBL4740768 0.98 KMT2A (0.36) KMT2ACHRNB2CHRNA4DPP4PREP
SCHEMBL4790739 0.94 KMT2A (0.39) KMT2ADPP4PREPFAPFDPS
SCHEMBL30015540 0.86 DPP4 (0.33) DPP4PREPFAP
SCHEMBL16274044 0.81 CA2 (0.34) KMT2AFDPS
SCHEMBL21093109 0.81 CA2 (0.34) KMT2AFDPS
SCHEMBL8272557 0.79 HCRTR2 (0.33) KMT2AFDPSCYP2D6MEN1ALDH1A1
SCHEMBL21496868 0.77 CHRNB2 (0.31) KMT2ACHRNB2CHRNA4FDPS
SCHEMBL21210069 0.77 DPP4 (0.31) DPP4PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981935-B2 Formation of chiral 4-chromanones using chiral pyrrolidines in the presence of acids DSM IP ASSETS B.V. (NL) 2018-05-29 US disclosed
US-20160168110-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF ACIDS DSM IP ASSETS B.V. (NL) 2016-06-16 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 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
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 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 (4 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 KMT2A 2156/4885CHRNB2 3365/4885CHRNA4 1167/4885
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 KMT2A 2300/4885CHRNB2 1254/4885CHRNA4 2596/4885
US-20160168110-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF ACIDS CROCC, CBR3, HCCS KMT2A 4391/4885CHRNB2 1209/4885CHRNA4 749/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 KMT2A 1391/4885CHRNB2 3654/4885CHRNA4 1617/4885

“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.