SCHEMBL4677631

SCHEMBL4677631

CC[C@H](N)C(=O)NNC(=O)NCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ANPEP P15144 1/20 0.53
MTNR1A P48039 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CA2 P00918 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
ATM Q13315 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL4678271 1.00 MEN1 (0.53) MEN1MAPTKMT2AANPEPMTNR1A
SCHEMBL4681089 0.87 ANPEP (0.58) MEN1MAPTKMT2AANPEPMTNR1A
SCHEMBL4681194 0.87 ANPEP (0.58) MEN1MAPTKMT2AANPEPMTNR1A
SCHEMBL4678494 0.82 ALDH1A1 (0.60) MEN1KMT2AANPEP
SCHEMBL4676430 0.82 ANPEP (0.52) MAPTKMT2AANPEP
SCHEMBL4676452 0.82 ANPEP (0.52) MAPTKMT2AANPEP
SCHEMBL4677405 0.82 ALDH1A1 (0.60) MEN1KMT2AANPEP
SCHEMBL4677842 0.81 CYP2C9 (0.44) MAPTCA2
SCHEMBL4677566 0.81 CYP2C9 (0.44) MAPTCA2
SCHEMBL4680712 0.80 TPH1 (0.46) MAPTKMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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 (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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 MEN1 2989/4885MAPT 736/4885KMT2A 1877/4885

“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.