SCHEMBL5426147

SCHEMBL5426147

NCCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
TAAR1 Q96RJ0 3/20 0.53
DAO P14920 1/20 0.53
MAOB P27338 4/20 0.47
PDE2A O00408 2/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MPL P40238 1/20 0.39

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 SCHEMBL4496729 0.98 IDO1 (0.64) IDO1TAAR1DAOMAOBPDE2A
SCHEMBL23891924 0.87 IDO1 (0.56) IDO1TAAR1DAOMAOBPDE2A
SCHEMBL7868348 0.86 TAAR1 (0.51) IDO1TAAR1DAOMAOB
SCHEMBL507107 0.86 IDO1 (0.62) IDO1TAAR1DAOMAOBPDE2A
SCHEMBL20472553 0.84 IDO1 (0.61) IDO1TAAR1DAOMAOBPDE2A
Hydrochloric Acid SCHEMBL30525006 0.84 IDO1 (0.66) IDO1TAAR1DAOMAOBPDE2A
SCHEMBL3632101 0.82 IDO1 (0.54) IDO1TAAR1DAOPDE2ASLC6A4
SCHEMBL2600180 0.82 IDO1 (0.54) IDO1TAAR1DAOPDE2ASLC6A4
SCHEMBL18097379 0.82 IDO1 (0.54) IDO1TAAR1DAOPDE2ASLC6A4
SCHEMBL5440588 0.82 IDO1 (0.54) IDO1TAAR1DAOPDE2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10952435-B2 Pyridine-2-carboxamides as nematocides SYNGENTA PARTICIPATIONS AG (CH) 2021-03-23 US disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
EP-3362446-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY Indivior UK Limited (GB) 2018-08-22 EP disclosed
EP-3022181-B1 PYRIDINE-2-CARBOXAMIDES AS NEMATOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-07 EP disclosed
EP-3221298-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2017-09-27 EP disclosed
WO-2017064488-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A MORPHOLINE MOIETY INDIVIOR UK LIMITED (GB) 2017-04-20 WO disclosed
US-20160165887-A1 PYRIDINE-2-CARBOXAMIDES AS NEMATOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 US disclosed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 WO disclosed
EP-3022181-A1 PYRIDINE-2-CARBOXAMIDES AS NEMATOCIDES Syngenta Participations AG (CH) 2016-05-25 EP disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 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 (7 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 IDO1 1914/4885TAAR1 121/4885DAO 1453/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 IDO1 1577/4885TAAR1 132/4885DAO 1394/4885
US-20160165887-A1 PYRIDINE-2-CARBOXAMIDES AS NEMATOCIDES TUBA3C, CYCS, ACHE IDO1 253/4885TAAR1 1176/4885DAO 2630/4885
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 IDO1 2203/4885TAAR1 418/4885DAO 4029/4885
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 IDO1 172/4885TAAR1 786/4885DAO 3596/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 IDO1 172/4885TAAR1 786/4885DAO 3596/4885
US-10952435-B2 Pyridine-2-carboxamides as nematocides TUBA3C, CYCS, ACHE IDO1 253/4885TAAR1 1176/4885DAO 2630/4885

“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.