SCHEMBL715958

SCHEMBL715958

Cc1ccc(C2CCCC(=O)C2)o1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.45
CHRM4 P08173 8/20 0.45
CHRM5 P08912 8/20 0.45
CHRM1 P11229 8/20 0.45
CHRM3 P20309 8/20 0.45
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 7/20 0.37
ESR2 Q92731 1/20 0.36
TSHR P16473 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
SCHEMBL14191138 0.90 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10881613 0.78 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14403820 0.77 S1PR1 (0.38) MAPTALDH1A1ESR2
SCHEMBL3664445 0.75 HDAC4 (0.43) MAPTKDM4EALDH1A1
SCHEMBL12252660 0.73
SCHEMBL3438085 0.71 MAPT (0.64) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16368642 0.70 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL714856 0.70 ESR2 (0.50) MAPTALDH1A1ESR2
SCHEMBL27825192 0.69 MAPT (0.33) MAPT
SCHEMBL28608577 0.68 HTR2C (0.47) MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
EP-2379525-B1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INT (DE) 2015-07-29 EP disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP 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-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 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

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 CHRM2 145/4885CHRM4 248/4885CHRM5 197/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 CHRM2 224/4885CHRM4 219/4885CHRM5 280/4885

“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.