SCHEMBL10177540

SCHEMBL10177540

CCC1COc2ccc(Cl)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MTNR1A P48039 2/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.38
ROCK2 O75116 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ACLY P53396 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD3 P35462 1/20 0.36
CYP19A1 P11511 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL16225128 0.84 HRH4 (0.40) HRH4HRH3MTNR1APOLBMAPT
SCHEMBL17888019 0.78 MTNR1A (0.64) HRH3MTNR1APOLBMAPTSIGMAR1
SCHEMBL26966465 0.78 HRH4 (0.42) HRH4HRH3POLBMAPTMAOB
SCHEMBL5346519 0.78 MTNR1A (0.70) MTNR1APOLBMAPTROCK2ACLY
SCHEMBL8354157 0.76 SIGMAR1 (0.52) MAOBACLYSIGMAR1
SCHEMBL13572973 0.76 SIGMAR1 (0.52) MAOBACLYSIGMAR1
SCHEMBL13572976 0.76 SIGMAR1 (0.52) MAOBACLYSIGMAR1
SCHEMBL11529541 0.75 HTR2A (0.41) DRD3CYP19A1
SCHEMBL431457 0.75 HRH4 (0.39) HRH4HRH3POLBMAPTMAOB
SCHEMBL21810889 0.75 HRH4 (0.39) HRH4HRH3POLBMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 US disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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-20120053164-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR1, CCR5 HRH4 30/4885HRH3 45/4885MTNR1A 264/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 HRH4 344/4885HRH3 933/4885MTNR1A 595/4885

“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.