SCHEMBL5007669

SCHEMBL5007669

NC(C(=O)N1CCCC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
HPGD P15428 5/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
DPP7 Q9UHL4 1/20 0.48
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 3/20 0.46
CHRM3 P20309 2/20 0.46
CHRM1 P11229 2/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
TSHR P16473 2/20 0.45

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
SCHEMBL14027830 1.00 DPP4 (0.54) DPP4HPGDKDM4EMAPTKMT2A
SCHEMBL4984200 0.98 HPGD (0.53) DPP4HPGDKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL4741023 0.98 DPP4 (0.52) DPP4HPGDKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL4741021 0.98 DPP4 (0.52) DPP4HPGDKDM4EMAPTKMT2A
SCHEMBL13632802 0.98 HPGD (0.53) DPP4HPGDKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL6261119 0.96 GAA (0.51) DPP4HPGDKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL21995059 0.91 ROCK2 (0.54) DPP4KDM4EKMT2AROCK2CYP3A4
Hydrochloric Acid SCHEMBL21995057 0.91 ROCK2 (0.54) DPP4KDM4EKMT2AROCK2CYP3A4
SCHEMBL22642320 0.84 ROCK2 (0.50) DPP4KDM4EMAPTKMT2AROCK2
SCHEMBL4702239 0.84 ALDH1A1 (0.63) HPGDKDM4EKMT2AGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 US claimed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
EP-1578725-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
WO-2004056777-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 US disclosed
CN-1069490-A Urea derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-03-03 CN 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 (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-20040132745-A1 Microsomal triglyceride transfer protein inhibitor MTTP, CETP, APOB DPP4 592/4885HPGD 1190/4885KDM4E 3437/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 DPP4 621/4885HPGD 717/4885KDM4E 2386/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN DPP4 553/4885HPGD 3106/4885KDM4E 3678/4885

“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.