SCHEMBL5452615

SCHEMBL5452615

Oc1cccc(NCc2ccc(F)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.64
PPARA Q07869 6/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
CASP6 P55212 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
STING1 Q86WV6 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HIF1A Q16665 1/20 0.47

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
SCHEMBL11511829 0.87 MEN1 (0.55) MAOBMEN1ALDH1A1MAPTTHRB
SCHEMBL6692354 0.87 PPARA (0.54) MAOBPPARAMEN1MAPTKMT2A
SCHEMBL4170185 0.84 HIF1A (0.62) MEN1ALDH1A1MAPTTHRBPKM
SCHEMBL1966732 0.83 NLRP3 (0.59) MAOBPPARAMEN1RECQLRAB9A
SCHEMBL11510145 0.82 HIF1A (0.64) MAOBMEN1ALDH1A1LMNAMAPT
SCHEMBL11511619 0.81 FFAR1 (0.61) MEN1LMNAKMT2ABCHEACHE
SCHEMBL11511650 0.80 HIF1A (0.54) MAOBALDH1A1LMNAMAPTPKM
SCHEMBL10055035 0.80 HPGD (0.67) PPARAMEN1ALDH1A1LMNAMAPT
SCHEMBL4092017 0.79 EGFR (0.50) MAOBPPARAMEN1MAPTKMT2A
SCHEMBL11511510 0.79 ARG1 (0.71) MAOBPKMBCHEACHEHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054888-A1 NOVEL SUBSTITUTED DIAMINE DERIVATIVES USEFUL AS MOTILIN AGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-03-08 US disclosed
US-7166601-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-01-23 US disclosed
US-7112586-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-26 US disclosed
US-20060183741-A1 Treatment of associated conditions and disorders such as gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel syndrome JOHNSON SIGMOND G 2006-08-17 US disclosed
US-6967199-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-11-22 US disclosed
US-20050148584-A1 Novel substituted diamine derivatives useful as motilin antagonists JOHNSON SIGMOND G (US) 2005-07-07 US disclosed
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder JOHNSON SIGMONG G (US) 2003-10-30 US disclosed
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN disclosed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
US-6511980-B2 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-28 US disclosed
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 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 (5 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-20070054888-A1 NOVEL SUBSTITUTED DIAMINE DERIVATIVES USEFUL AS MOTILIN AGONISTS MLNR, NPY4R, GIPR MAOB 523/4885PPARA 3022/4885MEN1 580/4885
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder MLNR, GIPR, NPY1R MAOB 383/4885PPARA 3139/4885MEN1 604/4885
US-20060183741-A1 Treatment of associated conditions and disorders such as gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel syndrome MLNR, NPY4R, GIPR MAOB 389/4885PPARA 3245/4885MEN1 405/4885
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder MLNR, GIPR, NPY1R MAOB 508/4885PPARA 1768/4885MEN1 966/4885
US-20050148584-A1 Novel substituted diamine derivatives useful as motilin antagonists MLNR, NPY4R, GIPR MAOB 456/4885PPARA 3743/4885MEN1 490/4885

“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.