SCHEMBL401463

SCHEMBL401463

c1cc2c3c(c1)ncn3CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
PARP1 P09874 1/20 0.47
HTR1A P08908 1/20 0.44
HTR3A P46098 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 7/20 0.35
FGFR1 P11362 2/20 0.35
PDE7A Q13946 3/20 0.35
PDE3A Q14432 3/20 0.35
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL405139 0.89 DRD2 (0.48) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL406231 0.87 DRD2 (0.47) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL7478192 0.78 PARP1 (0.52) DRD2DRD3PARP1HTR1AMEN1
SCHEMBL854184 0.75 PARP1 (0.61) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL8804657 0.75 LMNA (0.39) PARP1HTR3AMEN1LMNAKMT2A
SCHEMBL9035899 0.72 PARP1 (0.50) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL7376178 0.70 DRD2 (0.62) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL16584068 0.70 DRD2 (0.41) DRD2DRD3PARP1HTR1AMEN1
SCHEMBL9204124 0.70 DRD2 (0.57) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL16059334 0.69 PARP1 (0.44) DRD2DRD3PARP1HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979543-B Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2024-09-24 CN disclosed
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates HELSINN HEALTHCARE SA (CH) 2024-08-27 US disclosed
US-20220401463-A1 SUBSTITUTED 4-PHENYL-PYRIDINES HELSINN HEALTHCARE SA (CH) 2022-12-22 US disclosed
US-11312698-B2 Fosnetupitant chloride hydrochloride having improved stability HELSINN HEALTHCARE SA (CH) 2022-04-26 US disclosed
US-20200399240-A1 SUBSTITUTED 4-PHENYL-PYRIDINES HELSINN HEALTHCARE SA (CH) 2020-12-24 US disclosed
US-10717721-B2 Substituted piperaziniums for the treatment of emesis HELSINN HEALTHCARE SA (CH) 2020-07-21 US disclosed
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 US disclosed
EP-3181133-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2019-07-24 EP disclosed
US-20190177296-A1 SOLUTION COMPRISING THE CHLORIDE HYDROCHLORIDE SALT OF 4-(5-(2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N,2-DIMETHYLPROPANAMIDO)-4-(o-TOLYL)PYRIDIN-2-YL)-1-METHYL-1-((PHOSPHONOOXY)METHYL)PIPERAZIN-1-IUM (FOSNETUPITANT) AND PALONOSETRON HYDROCHLORIDE IN COMBINATION WITH DEXAMETHASONE AS A NEUROKININ RECEPTOR MODULATOR HELSINN HEALTHCARE SA (CH) 2019-06-13 US disclosed
US-10208073-B2 Solution comprising the chloride hydrochloride salt of 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-IUM-(fosnetupitant) and palonosetron hydrochloride in combination with dexamethasone as a neurokinin receptor modulator HELSINN HEALTHCARE SA (CH) 2019-02-19 US disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 US disclosed
WO-2009136350-A1 NOVEL CLASS OF SPIRO PIPERIDINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER INC. (US) 2009-11-12 WO disclosed
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 US disclosed
WO-2009004430-A1 N-BENZYL OXAZOLIDINONES AND RELATED HETEROCYCLEIC COMPOUNDS AS POTENTIATORS OF GLUTAMATE RECEPTORS PFIZER INC. (US) 2009-01-08 WO disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 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 (12 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 DRD2 2308/4885DRD3 2334/4885PARP1 3593/4885
US-11312698-B2 Fosnetupitant chloride hydrochloride having improved stability FOS, FOSB, CLCN2 DRD2 1030/4885DRD3 1640/4885PARP1 2702/4885
US-20200399240-A1 SUBSTITUTED 4-PHENYL-PYRIDINES BDKRB2, BDKRB1, TACR1 DRD2 1942/4885DRD3 2195/4885PARP1 3342/4885
US-20220401463-A1 SUBSTITUTED 4-PHENYL-PYRIDINES BDKRB2, BDKRB1, TACR1 DRD2 1942/4885DRD3 2195/4885PARP1 3342/4885
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 DRD2 1547/4885DRD3 1991/4885PARP1 4149/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 DRD2 1974/4885DRD3 2415/4885PARP1 3348/4885
US-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR DRD2 3566/4885DRD3 3495/4885PARP1 4790/4885
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates BDKRB1, BDKRB2, TK1 DRD2 2109/4885DRD3 2314/4885PARP1 918/4885
US-20190177296-A1 SOLUTION COMPRISING THE CHLORIDE HYDROCHLORIDE SALT OF 4-(5-(2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N,2-DIMETHYLPROPANAMIDO)-4-(o-TOLYL)PYRIDIN-2-YL)-1-METHYL-1-((PHOSPHONOOXY)METHYL)PIPERAZIN-1-IUM (FOSNETUPITANT) AND PALONOSETRON HYDROCHLORIDE IN COMBINATION WITH DEXAMETHASONE AS A NEUROKININ RECEPTOR MODULATOR NR3C2, NR3C1, OPRM1 DRD2 745/4885DRD3 979/4885PARP1 2726/4885
US-10717721-B2 Substituted piperaziniums for the treatment of emesis VIPR2, VIPR1, GRPR DRD2 1264/4885DRD3 2280/4885PARP1 3131/4885
US-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 DRD2 1044/4885DRD3 1402/4885PARP1 3216/4885
US-10208073-B2 Solution comprising the chloride hydrochloride salt of 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-IUM-(fosnetupitant) and palonosetron hydrochloride in combination with dexamethasone as a neurokinin receptor modulator OPRM1, MC2R, NR3C1 DRD2 369/4885DRD3 663/4885PARP1 1976/4885

“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.