SCHEMBL10177522

SCHEMBL10177522

CCC1CCCC(c2ccc(C)cc2)O1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40

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
SCHEMBL10177527 0.89 CYP2A6 (0.55) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL19726832 0.85 SLC6A2 (0.57) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL2745656 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL2744342 0.85 SLC6A2 (0.57) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL2744214 0.85 SLC6A2 (0.57) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL2744341 0.85 SLC6A2 (0.57) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL12633764 0.84 SLC6A2 (0.54) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL20040077 0.81 SLC6A2 (0.46) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL17214823 0.77 KDM1A (0.43) CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL20039945 0.77 ACHE (0.35) SLC6A2SLC6A4SLC6A3

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 CYP2A6 1231/4885SLC6A2 3577/4885SLC6A4 3872/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 CYP2A6 720/4885SLC6A2 3559/4885SLC6A4 3594/4885

“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.