SCHEMBL4178669

SCHEMBL4178669

Nc1ccc2c(c1)CCN(Cc1ncn[nH]1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38
DRD4 P21917 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CD44 P16070 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ENPP2 Q13822 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CA9 Q16790 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRD1 P41143 1/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL27517559 0.82 MEN1 (0.49) DRD2DRD3ENPP2HRH1HTR2B
SCHEMBL7478369 0.80 GRIN1 (0.41) DRD4DRD2ADRA2AGRIN1GRIN2B
SCHEMBL2838994 0.80 ALOX15 (0.51) DHFRDRD4DRD2DRD3CD44
SCHEMBL6970695 0.77 DRD4 (0.46) DHFRDRD4DRD2DRD3CD44
SCHEMBL4185736 0.75 CD44 (0.40) DHFRDRD4DRD2DRD3CD44
SCHEMBL6967728 0.74 CD44 (0.39) DHFRDRD4DRD2DRD3CD44
SCHEMBL6964464 0.73 DRD2 (0.56) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL6972430 0.73 DRD2 (0.53) DHFRDRD4DRD2DRD3ADRA2A
SCHEMBL6957984 0.73 DRD2 (0.56) DHFRDRD4DRD2DRD3KDM4E
SCHEMBL6973388 0.72 TMEM97 (0.60) DHFRDRD4DRD2DRD3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008072061-A1 METHOD OF TREATMENT OF OBESITY WITH AN MTP INHIBITOR IN CONJUNCTION WITH AN INCREASED-FAT DIET PFIZER PRODUCTS INC. (US) 2008-06-19 WO claimed
US-20090209492-A1 Lipase Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2009-08-20 US disclosed
WO-2008072061-A1 METHOD OF TREATMENT OF OBESITY WITH AN MTP INHIBITOR IN CONJUNCTION WITH AN INCREASED-FAT DIET PFIZER PRODUCTS INC. (US) 2008-06-19 WO disclosed
EP-1824861-A2 LIPASE INHIBITORS Trustees of the Tufts College (US) 2007-08-29 EP disclosed
WO-2006053250-A2 LIPASE INHIBITORS TRUSTEES OF TUFTS COLLEGE (US) 2006-05-18 WO disclosed
EP-0902785-B1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER (US) 2002-09-04 EP disclosed
US-5998623-A Process and intermediates for preparing 4'-trifluoromethylbiphenyl-2-carboxylic acid [2-(2H-[1,2,4]triazol-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-a mide PFIZER INC. (US) 1999-12-07 US disclosed
CN-1216988-A Process and intermediates for preparing 4-trifluoromethyl-biphenyl-2-carboxylic acid [2-(2H-[1,2,4] triazol-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-amide PFRIZER INC (US) 1999-05-19 CN disclosed
EP-0902785-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1999-03-24 EP disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 WO disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 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-20090209492-A1 Lipase Inhibitors LIPG, LPL, PNLIP DHFR 3318/4885DRD4 4498/4885DRD2 4375/4885

“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.