SCHEMBL16669646

SCHEMBL16669646

O[C@H]1CC[C@@H](c2ccc(Br)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.65
SLC18A3 Q16572 2/20 0.41
KCNH2 Q12809 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM1A O60341 5/20 0.40
MAOB P27338 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40
ESR1 P03372 2/20 0.40
KDM1B Q8NB78 1/20 0.40
BRD4 O60885 1/20 0.39
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL7151959 1.00 ESR2 (0.65) ESR2SLC18A3KCNH2CYP3A4CYP2C9
SCHEMBL7151961 1.00 ESR2 (0.65) ESR2SLC18A3KCNH2CYP3A4CYP2C9
SCHEMBL27945820 0.94 ESR2 (0.59) ESR2SLC18A3KCNH2CYP3A4CYP2C9
SCHEMBL265495 0.88 KDM1A (0.48) ESR2KCNH2CYP3A4CYP2C9KDM1A
SCHEMBL14804315 0.88 KDM1A (0.48) ESR2KCNH2CYP3A4CYP2C9KDM1A
SCHEMBL3497539 0.87 ESR2 (0.50) ESR2KCNH2KDM1AMAOBRCOR1
SCHEMBL3496853 0.87 ESR2 (0.50) ESR2KCNH2KDM1AMAOBRCOR1
SCHEMBL5228850 0.87 ESR2 (0.50) ESR2KCNH2KDM1AMAOBRCOR1
SCHEMBL3497441 0.87 ESR2 (0.50) ESR2KCNH2KDM1AMAOBRCOR1
Methyl Alcohol SCHEMBL27656751 0.86 ESR2 (0.50) ESR2SLC18A3KCNH2CYP3A4CYP2C9

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
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-A1 AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-09-07 EP disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 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 (1 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-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB2, PRKAB1 ESR2 293/4885SLC18A3 4616/4885KCNH2 2504/4885

“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.