SCHEMBL642118

SCHEMBL642118

N=C(NO)c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
IDO1 P14902 1/20 0.39
SMARCA2 P51531 5/20 0.38
SMARCA4 P51532 4/20 0.38
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TRPA1 O75762 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
PREP P48147 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL13847309 0.79 RECQL (0.37) RECQLTAS1R3TAS1R1TAS1R2IDO1
SCHEMBL2134993 0.78 KDM1A (0.42) IDO1PREP
SCHEMBL4394180 0.78 KDM4D (0.31)
SCHEMBL312499 0.77 GABRP (0.53) PREP
SCHEMBL31656123 0.77 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2IDO1LOXL2
SCHEMBL1179121 0.77 UHRF1 (0.48) SMARCA2SMARCA4SLC6A3TAAR1PROKR1
SCHEMBL2435961 0.76 RECQL (0.44) RECQLIDO1LOXLOXL3LOXL2
Hydrochloric Acid SCHEMBL15645583 0.74 LMNA (0.47) RECQLIDO1LOXLOXL3LOXL2
SCHEMBL1727249 0.74 CYP1A2 (0.38) RECQL
SCHEMBL4383962 0.73 KMT2A (0.42) SMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R RECQL 2973/4885TAS1R3 156/4885TAS1R1 112/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 RECQL 1669/4885TAS1R3 4783/4885TAS1R1 4835/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR RECQL 1788/4885TAS1R3 657/4885TAS1R1 580/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 RECQL 1795/4885TAS1R3 2976/4885TAS1R1 3138/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 RECQL 4049/4885TAS1R3 1608/4885TAS1R1 1668/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 RECQL 1669/4885TAS1R3 4783/4885TAS1R1 4835/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 RECQL 4049/4885TAS1R3 1608/4885TAS1R1 1668/4885

“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.