SCHEMBL12669495

SCHEMBL12669495

CS(=O)(=O)c1cc(C2(N)CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.36
ADRB1 P08588 1/20 0.36
KCNH2 Q12809 1/20 0.36
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
KDM1A O60341 1/20 0.31
USP28 Q96RU2 1/20 0.31
VNN1 O95497 1/20 0.30

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
Hydrochloric Acid SCHEMBL13387889 0.98 CCR1 (0.36) CCR1ADRB1KCNH2AKT1AKT2
SCHEMBL13386499 0.94 AKT1 (0.40) CCR1ADRB1KCNH2AKT1AKT2
Trifluoroacetic Acid SCHEMBL1670534 0.88 CCR1 (0.38) CCR1ADRB1KCNH2AKT1AKT2
SCHEMBL1672692 0.78 LMNA (0.40) CCR1ADRB1KCNH2
SCHEMBL12002508 0.76 LMNA (0.45) CCR1ADRB1KCNH2AKT1
SCHEMBL13386417 0.75 ALOX5AP (0.41) AKT1AKT2USP28
SCHEMBL9887884 0.73 UHRF1 (0.45)
SCHEMBL28040761 0.73
SCHEMBL2643084 0.71 L3MBTL1 (0.42)
SCHEMBL12799894 0.69 HDAC6 (0.35) KDM1A

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 16 patents. 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-20120270879-A1 Heterocyclic 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
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 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 CCR1 1/4885ADRB1 49/4885KCNH2 2942/4885
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 CCR1 1/4885ADRB1 31/4885KCNH2 979/4885

“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.