SCHEMBL601051

SCHEMBL601051

OC(O)(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
HPGD P15428 2/20 0.32
METAP1 P53582 1/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
EPHX1 P07099 3/20 0.31
KMT2A Q03164 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL16616932 0.80 CYP1A2 (0.36) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL8518913 0.80 CYP1A2 (0.36) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL16974430 0.76 GRM2 (0.40) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL28658445 0.76 CYP1A2 (0.40) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL28677325 0.76 CYP1A2 (0.40) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL28659690 0.76 CYP1A2 (0.40) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL28827189 0.74 CYP1A2 (0.39) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL10881574 0.74 CYP2D6 (0.30) SIGMAR1CHRM5CHRM2CHRM4CHRM1
SCHEMBL16974428 0.73 GRM2 (0.37) CYP1A2GRM2GRM3SIGMAR1HPGD
SCHEMBL28660509 0.73 CYP1A2 (0.36) CYP1A2GRM2GRM3SIGMAR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP claimed
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP claimed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US claimed
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US claimed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US claimed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP claimed
US-7576121-B2 Pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2009-08-18 US claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
EP-1658255-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-02-18 EP claimed
EP-1997533-A1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2008-12-03 EP claimed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US claimed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO claimed
WO-2002054931-A2 ALPHA-AMINOBORONIC ACIDS PREPARED BY NOVEL SYNTHETIC METHODS BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO claimed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO claimed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US claimed
EP-1206449-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-22 EP claimed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO claimed
WO-2001007407-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-02-01 WO claimed
US-5639739-A USEFUL FOR TREATING THROMBOSIS IN MAMMALS BY INHIBITING TRYPSIN-LIKE SERINE PROTEASE ENZYMES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 CYP1A2 602/4885GRM2 4649/4885GRM3 3561/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 CYP1A2 1355/4885GRM2 4868/4885GRM3 4753/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 CYP1A2 452/4885GRM2 2655/4885GRM3 2534/4885

“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.