SCHEMBL1669766

SCHEMBL1669766

O=C(O)C1(c2ccnc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.42
APP P05067 5/20 0.39
AKR1C3 P42330 5/20 0.39
AKR1C2 P52895 5/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 1/20 0.39
SLC22A12 Q96S37 3/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1670449 0.93 AKR1C1 (0.47) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL13386583 0.85 SYK (0.41) SLC22A12ARKDM4EALDH1A1SMN1; SMN2
SCHEMBL25344984 0.83 AR (0.36) SLC22A12ARKDM4EALDH1A1SMN1; SMN2
SCHEMBL9280861 0.79 AKR1C3 (0.43) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL12002814 0.79 LMNA (0.46) AKR1C1SLC22A12ALDH1A1
SCHEMBL23973072 0.78 HDAC6 (0.32)
SCHEMBL5435853 0.76 KMT2A (0.44) AKR1C1APPAKR1C3AKR1C2CYP2C19
SCHEMBL19029371 0.76 HDAC6 (0.40) SLC22A12ARKDM4EALDH1A1SMN1; SMN2
SCHEMBL7952711 0.75 AKR1C1 (0.53) AKR1C1ALDH1A1
SCHEMBL31292176 0.75 AKR1C1 (0.49) AKR1C1APPAKR1C3AKR1C2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056858-B2 Indazole and pyrazolopyridine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-16 US disclosed
US-9056858-B2 Indazole and pyrazolopyridine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-16 US disclosed
US-9056858-B2 Indazole and pyrazolopyridine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-16 US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2491028-B1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
CN-102666526-A Indazole and pyrazolopyridine compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2012-09-12 CN disclosed
EP-2493875-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-09-05 EP disclosed
EP-2491028-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 WO disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 WO disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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 (2 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-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 AKR1C1 574/4885APP 4741/4885AKR1C3 299/4885
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 AKR1C1 772/4885APP 4803/4885AKR1C3 542/4885

“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.