SCHEMBL714761

SCHEMBL714761

COC(=O)C1CCCN(C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
HTT P42858 2/20 0.45
CREBBP Q92793 1/20 0.44
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14742377 0.89 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1POLBHTTTP53
SCHEMBL26528022 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1POLBHTT
SCHEMBL18132141 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1POLBHTT
SCHEMBL23805028 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPK1LMNAPOLB
SCHEMBL716530 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1POLBTP53GAA
SCHEMBL1595209 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAGAA
SCHEMBL7362051 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAGAA
SCHEMBL20656791 0.79 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBHTTCREBBP
SCHEMBL29775709 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBHTTCREBBP
SCHEMBL3920262 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1POLBHTT

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-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 (3 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 SMN1; SMN2 3944/4885ALDH1A1 1071/4885MAPK1 1001/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 SMN1; SMN2 4772/4885ALDH1A1 1952/4885MAPK1 1325/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 SMN1; SMN2 4695/4885ALDH1A1 2172/4885MAPK1 1468/4885

“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.