SCHEMBL249489

SCHEMBL249489

NCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.72
MC4R P32245 1/20 0.66
CCR3 P51677 1/20 0.62
PRMT3 O60678 1/20 0.59
CARM1 Q86X55 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
PRMT1 Q99873 1/20 0.59
PRMT8 Q9NR22 1/20 0.59
DRD4 P21917 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
KMT2A Q03164 1/20 0.57

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 SCHEMBL3449676 0.98 SIGMAR1 (0.69) SIGMAR1MC4RCCR3PRMT3CARM1
Hydrochloric Acid SCHEMBL23123378 0.98 SIGMAR1 (0.69) SIGMAR1MC4RCCR3PRMT3CARM1
SCHEMBL544347 0.89 SIGMAR1 (0.74) SIGMAR1MC4RCCR3
SCHEMBL6659339 0.87 SIGMAR1 (0.86) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL14761920 0.87 SIGMAR1 (0.75) SIGMAR1MC4RCCR3
Hydrochloric Acid SCHEMBL7983823 0.87 SIGMAR1 (0.72) SIGMAR1MC4RCCR3
Hydrochloric Acid SCHEMBL9601328 0.85 SIGMAR1 (0.73) SIGMAR1MC4RCCR3
Hydrochloric Acid SCHEMBL7982262 0.85 SIGMAR1 (0.73) SIGMAR1MC4RCCR3
SCHEMBL2489199 0.85 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA
SCHEMBL1415730 0.85 SIGMAR1 (1.00) SIGMAR1MC4RCCR3DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778739-A Concentrated long-acting antibacterial anti-fouling PC master batch and preparation method thereof 华东理工大学 2021-05-11 CN claimed
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US claimed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 US claimed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP claimed
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives GLAXO GROUP LIMITED 2009-02-19 US claimed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 US claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 US claimed
WO-2008017755-A2 LAMELLAR ZIRCONIUM AND/OR TITANIUM PHOSPHATE STRUCTURE MODIFIED BY AN ALKYLAMINE OR A DIAMINE, METHOD OF PREPARATION AND USE THEREOF RHODIA OPERATIONS (FR) 2008-02-14 WO claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US claimed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 WO claimed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 SIGMAR1 305/4885MC4R 808/4885CCR3 462/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 SIGMAR1 1470/4885MC4R 730/4885CCR3 1403/4885
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives CBR3, CBR1, CYP2S1 SIGMAR1 218/4885MC4R 569/4885CCR3 474/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 SIGMAR1 312/4885MC4R 877/4885CCR3 616/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB SIGMAR1 3129/4885MC4R 3253/4885CCR3 952/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB SIGMAR1 3129/4885MC4R 3253/4885CCR3 952/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 SIGMAR1 1674/4885MC4R 672/4885CCR3 1987/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 SIGMAR1 2314/4885MC4R 544/4885CCR3 409/4885

“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.