SCHEMBL3175482

SCHEMBL3175482

COC(C)(C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
ALDH1A1 P00352 2/20 0.45
PLIN1 O60240 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
RAB9A P51151 1/20 0.45
RPS6KA2 Q15349 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
SCHEMBL16761225 0.88 CHRM2 (0.46) CHRM2ALDH1A1
SCHEMBL1274681 0.85 CHRM2 (0.49) CHRM2ALDH1A1PLIN1MAPTHPGD
SCHEMBL9430060 0.82 RAB9A (0.50) MAPTHPGDRAB9A
SCHEMBL9625482 0.80 CHRM2 (0.63) CHRM2ALDH1A1
SCHEMBL5962347 0.80 CHRM2 (0.54) CHRM2ALDH1A1
SCHEMBL2372215 0.80 CHRM2 (0.44) CHRM2ALDH1A1PLIN1MAPTHPGD
SCHEMBL7286379 0.79 CHRM2 (0.53) CHRM2ALDH1A1
SCHEMBL10920048 0.77 CHRM2 (0.43) CHRM2ALDH1A1PLIN1MAPTHPGD
SCHEMBL13705626 0.77 CHRM2 (0.49) CHRM2ALDH1A1PLIN1MAPTHPGD
SCHEMBL3170290 0.77 ALDH1A1 (0.52) CHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703987-B2 Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate Draximage Limited (IE) 2014-04-22 US disclosed
US-8703987-B2 Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate Draximage Limited (IE) 2014-04-22 US disclosed
US-8703987-B2 Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate Draximage Limited (IE) 2014-04-22 US disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
US-20100010250-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE Draximage Limited (IE) 2010-01-14 US disclosed
US-20100010250-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE Draximage Limited (IE) 2010-01-14 US disclosed
US-20100010250-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE Draximage Limited (IE) 2010-01-14 US disclosed
EP-2099742-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE Draximage Limited (IE) 2009-09-16 EP disclosed
US-7563920-B2 Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate Draximage Limited (IE) 2009-07-21 US disclosed
US-7563920-B2 Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate Draximage Limited (IE) 2009-07-21 US disclosed
US-7563920-B2 Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate Draximage Limited (IE) 2009-07-21 US disclosed
WO-2008053285-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE Draximage Limited (IE) 2008-05-08 WO disclosed
US-20080102028-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2008-05-01 US disclosed
US-20080102028-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2008-05-01 US disclosed
US-20080102028-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2008-05-01 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-20100010250-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE MEN1, CYP2F1, CYP4F11 CHRM2 3470/4885ALDH1A1 2915/4885PLIN1 3668/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 CHRM2 1483/4885ALDH1A1 59/4885PLIN1 723/4885
US-20080102028-A1 METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE CYP4F3, CYP2F1, CYP4F11 CHRM2 3498/4885ALDH1A1 2483/4885PLIN1 3317/4885

“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.