SCHEMBL6539175

SCHEMBL6539175

CC(C)(C)OC(=O)N1CCC(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.46
EPHX1 P07099 1/20 0.43
RECQL P46063 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.36
STS P08842 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL7446671 1.00 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6539180 1.00 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7435444 1.00 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7435431 1.00 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6539187 1.00 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7439872 0.92 MEN1 (0.48) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7439850 0.92 MEN1 (0.48) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7439867 0.92 MEN1 (0.48) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7443769 0.84 HPGD (0.42) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7446169 0.84 ITGB3 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB HPGD 1448/4885MEN1 1428/4885ALDH1A1 578/4885

“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.