SCHEMBL1781639

SCHEMBL1781639

CC1(NCC(=O)O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
MME P08473 3/20 0.40
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FFAR3 O14843 2/20 0.32
CTH P32929 1/20 0.31
EGLN1 Q9GZT9 2/20 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
Hydrochloric Acid SCHEMBL1782048 0.98 DPP4 (0.47) DPP4MMECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4323492 0.98 DPP4 (0.47) DPP4MMECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1513992 0.89
SCHEMBL14691680 0.81 DPP4 (0.47) DPP4ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL3205065 0.79 DPP4 (0.40) DPP4MMECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5634108 0.75 MME (0.38) DPP4MMECYP2C19ALDH1A1SMN1; SMN2
SCHEMBL24666314 0.74 EPHX1 (0.39) CYP2C19CYP1A2CTHEGLN1
SCHEMBL5095243 0.74 TSHR (0.41) MMECYP2C19ALDH1A1SMN1; SMN2USP2
SCHEMBL2588409 0.71 MME (0.41) MMECYP2C19ALDH1A1SMN1; SMN2USP2
SCHEMBL21752029 0.71 TSHR (0.47) DPP4MMECYP2C19ALDH1A1SMN1; SMN2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP claimed
EP-0813544-A4 1998-01-07 EP claimed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP claimed
CN-1148393-A Bradykinin antagonist peptides incorporating N-substituted glycines CORTECH INC (US) 1997-04-23 CN claimed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 WO claimed
CN-102206247-B Novel peptides as NS3/NS4a serine protease inhibitors of hepatitis C virus DENDREON CORP 2013-03-27 CN disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
CN-102206247-A Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON CORP 2011-10-05 CN disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
CN-101792483-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP 2010-08-04 CN disclosed
EP-1481000-B1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-06-02 EP disclosed
EP-1385870-B1 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-03-17 EP disclosed
US-5852051-A Dipeptide p-amidinobenzylamides with N-terminal sulfonyl or aminosulfonyl radicals BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0813544-A4 1998-01-07 EP disclosed
EP-0813544-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1997-12-29 EP disclosed
US-5700779-A ALLEVIATING PAIN, ASTHMA, INFLAMMATION, CEREBRAL EDEMA, CARDIOVASCULAR DYSFUNCTION CORTECH, INC. (US) 1997-12-23 US disclosed
EP-0796271-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed
CN-1148393-A Bradykinin antagonist peptides incorporating N-substituted glycines CORTECH INC (US) 1997-04-23 CN disclosed
WO-1996017860-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
WO-1995024422-A1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH, INC. (US) 1995-09-14 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP DPP4 26/4885MME 34/4885CYP2C19 2813/4885

“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.