SCHEMBL124039

SCHEMBL124039

CN1CCC(=CC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.39
HRH3 Q9Y5N1 1/20 0.35
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
NOS1 P29475 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14084282 0.80 OPRM1 (0.33) DRD3ALDH1A1HTT
SCHEMBL28159652 0.76 DRD3 (0.35) DRD3
SCHEMBL17029518 0.76 DRD3 (0.35) DRD3
SCHEMBL13931717 0.76 HRH3 (0.35) DRD3HRH3MAOAMAOBDRD2
SCHEMBL10881206 0.76 DRD3 (0.43) DRD3
SCHEMBL14808997 0.76 DRD3 (0.36) DRD3
SCHEMBL30990313 0.76 DRD3 (0.43) DRD3HRH3SMN1; SMN2ALDH1A1LMNA
SCHEMBL18975892 0.75
SCHEMBL28153950 0.71 DRD3 (0.37) DRD3
SCHEMBL31719552 0.71 DRD3 (0.40) DRD3HRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976339-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146249-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014146491-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
US-8629277-B2 Styrenyl 1,2,4-oxadiazole compounds Piramal Enterprises Limited (IN) 2014-01-14 US disclosed
US-20130005771-A1 OXADIAZOLE COMPOUNDS, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2013-01-03 US disclosed
US-8202871-B2 Indol-2-one derivatives disubstituted in the 3-position, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-19 US disclosed
EP-2188253-B1 Indol-2-one derivatives disubstituted in 3-position, preparation thereof and therapeutic use thereof SANOFI SA (FR) 2012-03-07 EP disclosed
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
US-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 US disclosed
EP-2188253-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-26 EP disclosed
WO-2009056707-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed
US-7160900-B2 Tetrahydropyridino or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-09 US 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 (3 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-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 DRD3 32/4885HRH3 911/4885MAOA 55/4885
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 DRD3 32/4885HRH3 911/4885MAOA 55/4885
US-20130005771-A1 OXADIAZOLE COMPOUNDS, THEIR PREPARATION AND USE MCL1, OXA1L, ABL1 DRD3 1760/4885HRH3 1655/4885MAOA 739/4885

“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.