SCHEMBL716530

SCHEMBL716530

COC(=O)C1CN(C(N)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
BRD4 O60885 1/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
PDE4B Q07343 1/20 0.37

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 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1POLBTP53GAA
SCHEMBL714761 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBTP53GAA
SCHEMBL1581725 0.80 SMN1; SMN2 (0.47) SMN1; SMN2BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL14498936 0.80 SMN1; SMN2 (0.47) SMN1; SMN2BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL718121 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBTP53GAA
SCHEMBL8297715 0.77
Hydrochloric Acid SCHEMBL30118683 0.76 BRD4 (0.46) SMN1; SMN2BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL16219021 0.75 CHRNB2 (0.50) SMN1; SMN2BRD4CHRNB2CHRNA4CHRNB4
SCHEMBL9965973 0.75
SCHEMBL28957852 0.75

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 3 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-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 SMN1; SMN2 3944/4885BRD4 195/4885CHRNB2 394/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 SMN1; SMN2 4772/4885BRD4 563/4885CHRNB2 1146/4885

“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.