SCHEMBL3744895

SCHEMBL3744895

FCCOc1cccc(CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.44
HTR2B P41595 1/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MAOB P27338 3/20 0.41
BCHE P06276 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL13672772 0.88 MAOB (0.46) DRD2DRD4DRD3CYP4F2CYP4A11
SCHEMBL18740033 0.85 ALDH1A1 (0.53) KCNH2DRD2DRD4DRD3CYP4F2
SCHEMBL2368219 0.85 MAOB (0.43) KCNH2CYP4F2CYP4A11MAOBBCHE
SCHEMBL7254138 0.85 PRSS1 (0.47) MAOBKDM4EALDH1A1
SCHEMBL3110653 0.83 KCNH2 (0.54) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL2063087 0.83 KCNA3 (0.50) DRD2DRD4DRD3CYP4F2CYP4A11
SCHEMBL5961821 0.82 KCNH2 (0.50) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL3738140 0.81 KCNH2 (0.52) KCNH2DRD2DRD4DRD3HTR1A
SCHEMBL2932600 0.81 KMT2A (0.51) DRD2HTR1AHTR2BBCHEKDM4E
SCHEMBL12970221 0.81 KDM4E (0.58) KCNH2DRD2DRD4DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913733-B2 Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof ALECTOS THERAPEUTICS INC. (CA) 2021-02-09 US disclosed
EP-3389658-B1 GLYCOSIDASE INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-20180362517-A1 GLYCOSIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS, INC. (CA) 2018-12-20 US disclosed
EP-3389658-A1 GLYCOSIDASE INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
WO-2017106254-A1 GLYCOSIDASE INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 KCNH2 2971/4885DRD2 4834/4885DRD4 4848/4885
US-10913733-B2 Substituted piperidines thiazolyl acetamides as glycosidase inhibitors and uses thereof OGA, ENGASE, GAA KCNH2 2054/4885DRD2 2869/4885DRD4 3097/4885
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 KCNH2 1276/4885DRD2 1654/4885DRD4 3078/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 KCNH2 2971/4885DRD2 4834/4885DRD4 4848/4885
US-20180362517-A1 GLYCOSIDASE INHIBITORS AND USES THEREOF ENGASE, OGA, GAA KCNH2 3633/4885DRD2 2751/4885DRD4 2973/4885
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R KCNH2 4306/4885DRD2 2477/4885DRD4 2903/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R KCNH2 4306/4885DRD2 2477/4885DRD4 2903/4885

“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.