SCHEMBL2136269

SCHEMBL2136269

Cc1ccc(OCC2CC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.59
CHRNA4 P43681 4/20 0.59
CHRNB1 P11230 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNB3 Q05901 1/20 0.59
KDM1A O60341 1/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1564278 0.91 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL10347109 0.89 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL10347107 0.89 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL18291304 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7407230 0.80 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL2437188 0.80 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7913611 0.80 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL4900424 0.79 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL4900414 0.79 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL27856534 0.79 CHRNB2 (0.56) CHRNB2CHRNA4PARP15PARP10PARP2

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
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
CN-105254557-A ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC 2016-01-20 CN disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
CN-102448937-A Aryl Substituted Carboxamide Derivatives As Calcium Or Sodium Channel Blockers RAQUALIA PHARMA INC 2012-05-09 CN disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2012002096-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-05 WO disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 WO disclosed
WO-2010089993-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES クミアイ化学工業株式会社 (JP) 2010-08-12 WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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 (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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 CHRNB2 700/4885CHRNA4 225/4885CHRNB1 618/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 CHRNB2 3584/4885CHRNA4 2681/4885CHRNB1 4181/4885
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CHRNB2 346/4885CHRNA4 206/4885CHRNB1 476/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CHRNB2 369/4885CHRNA4 138/4885CHRNB1 328/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 CHRNB2 3584/4885CHRNA4 2681/4885CHRNB1 4181/4885

“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.