SCHEMBL10177682

SCHEMBL10177682

NC(=O)[C@H]1C[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.46
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HSD11B1 P28845 2/20 0.39
HTR3A P46098 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HDAC2 Q92769 1/20 0.38
DEGS1 O15121 1/20 0.38
NPC1 O15118 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL16368736 1.00 SLC9A1 (0.46) SLC9A1MAPTKMT2AHSD17B10ALDH1A1
SCHEMBL10177679 1.00 SLC9A1 (0.46) SLC9A1MAPTKMT2AHSD17B10ALDH1A1
SCHEMBL716700 0.82 AKR1C3 (0.52) SLC9A1MAPTHSD17B10ALDH1A1POLB
SCHEMBL2688880 0.80 AKR1C3 (0.58) SLC9A1MAPTHSD17B10ALDH1A1GAA
SCHEMBL28329004 0.78 SLC9A1 (0.44) SLC9A1MAPTKMT2AHSD17B10ALDH1A1
SCHEMBL22209881 0.78 SLC9A1 (0.44) SLC9A1MAPTKMT2AHSD17B10ALDH1A1
SCHEMBL7281211 0.77 PAX8 (0.41) ALDH1A1
SCHEMBL11660635 0.77 SLC6A3 (0.48) SMN1; SMN2L3MBTL1
Carbamic Acid SCHEMBL1569088 0.76 IDO1 (0.49) SLC9A1MAPTKMT2AHSD17B10ALDH1A1
SCHEMBL7976148 0.75 ALOX5 (0.47) SLC9A1MAPTKMT2AHSD17B10ALDH1A1

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 9 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-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-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-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
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 SLC9A1 2441/4885MAPT 4507/4885KMT2A 2199/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 SLC9A1 4747/4885MAPT 4651/4885KMT2A 4077/4885

“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.