SCHEMBL2065251

SCHEMBL2065251

CC1(OC(=O)CN)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CYP2C19 P33261 1/20 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 SCHEMBL27583597 0.98 CYP19A1 (0.49) CYP19A1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL25397835 0.83 CYP19A1 (0.53) CYP19A1LMNATSHRCYP2C19
SCHEMBL17723264 0.82 CYP19A1 (0.49) CYP19A1ALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL13688430 0.82 CYP19A1 (0.45) CYP19A1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL9912807 0.81 CYP19A1 (0.51) CYP19A1ALDH1A1LMNACYP2C19
SCHEMBL119668 0.81 CYP19A1 (0.51) CYP19A1ALDH1A1LMNACYP2C19
SCHEMBL5702555 0.81 CYP19A1 (0.51) CYP19A1CYP2C19
SCHEMBL5702559 0.81 CYP19A1 (0.56) CYP19A1CYP2C19
SCHEMBL13564182 0.79 CYP19A1 (0.50) CYP19A1CYP2C19
SCHEMBL6551405 0.79 CYP19A1 (0.50) CYP19A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20060205672-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2006-09-14 US disclosed
US-7012066-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2006-03-14 US disclosed
CN-1633446-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP (US) 2005-06-29 CN disclosed
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS LLC 2004-12-16 US disclosed
EP-1481000-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2004-12-01 EP disclosed
CN-1498224-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease ���鹫˾ 2004-05-19 CN disclosed
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SAKSENA ANIL K 2003-11-20 US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 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-20060205672-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP19A1 3220/4885ALDH1A1 2369/4885SMN1; SMN2 3286/4885
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP19A1 3220/4885ALDH1A1 2369/4885SMN1; SMN2 3286/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP19A1 3220/4885ALDH1A1 2369/4885SMN1; SMN2 3286/4885
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP19A1 3220/4885ALDH1A1 2369/4885SMN1; SMN2 3286/4885

“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.