SCHEMBL405139

SCHEMBL405139

c1cc2c3c(c1)ncn3CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
PARP1 P09874 1/20 0.45
HTR1A P08908 1/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
HTR3A P46098 1/20 0.36
MCL1 Q07820 2/20 0.36
ALOX12 P18054 1/20 0.35
FGFR1 P11362 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL406231 0.95 DRD2 (0.47) DRD2DRD3PARP1HTR1AHTR2A
SCHEMBL30377833 0.95 DRD2 (0.47) DRD2DRD3PARP1HTR1AHTR2A
SCHEMBL401463 0.89 DRD2 (0.50) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL7478192 0.75 PARP1 (0.52) DRD2DRD3PARP1HTR1AHTR2A
SCHEMBL4780239 0.71 NOS3 (0.38) HTR2AHTR2C
SCHEMBL9204124 0.70 DRD2 (0.57) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL9124998 0.69 DRD2 (0.56) DRD2DRD3PARP1HTR1AHTR3A
SCHEMBL854184 0.69 PARP1 (0.61) DRD2DRD3PARP1HTR1AUSP2
SCHEMBL16584068 0.68 DRD2 (0.41) DRD2DRD3PARP1HTR1AFGFR1
SCHEMBL15828534 0.68 NPC1 (0.37) HTR2AHTR2CUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8092251-A None JP disclosed
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
CN-112979543-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2021-06-18 CN disclosed
CN-112961104-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2021-06-15 CN disclosed
US-20200399240-A1 SUBSTITUTED 4-PHENYL-PYRIDINES HELSINN HEALTHCARE SA (CH) 2020-12-24 US disclosed
CN-111662330-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2020-09-15 CN disclosed
US-10717721-B2 Substituted piperaziniums for the treatment of emesis HELSINN HEALTHCARE SA (CH) 2020-07-21 US disclosed
US-5563272-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-10-08 US disclosed
US-5563272-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-10-08 US disclosed
JP-H0892251-A 5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINES, THEIR PRODUCTION, USE THEREOF AS MEDICAMENT AND INTERMEDIATE COMPOUND HOECHST ROUSSEL PHARMACEUT INC 1996-04-09 JP disclosed
US-5500423-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed
US-5500423-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed
US-5500423-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed
EP-0700913-A1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-13 EP disclosed
EP-0700913-A1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-13 EP disclosed
EP-0700913-A1 5,6-dihydro-4H-imidazo(4,5,1-ij)quinolines, processes for their preparation, their use as medicaments, and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-13 EP disclosed
EP-0146370-B1 IMIDAZOQUINOLINES CONTAINING OTHER HETEROCYCLIC GROUPS JOHN WYETH & BROTHER LIMITED (GB) 1988-10-19 EP 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-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-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates BDKRB1, BDKRB2, TK1 DRD2 2109/4885DRD3 2314/4885PARP1 918/4885
US-10717721-B2 Substituted piperaziniums for the treatment of emesis VIPR2, VIPR1, GRPR DRD2 1264/4885DRD3 2280/4885PARP1 3131/4885

“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.