SCHEMBL10177536

SCHEMBL10177536

CCC1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
ADRB2 P07550 1/20 0.44
SLC6A3 Q01959 3/20 0.41
HTR3A P46098 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LSS P48449 2/20 0.39
SRD5A1 P18405 2/20 0.39
SLC6A2 P23975 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL10177557 0.86 DRD2 (0.49) DRD2ADRB2SLC6A3HTR3AKDM1A
SCHEMBL15629800 0.83 DRD2 (0.46) DRD2SLC6A3HTR3ALSS
SCHEMBL10177543 0.82 DRD2 (0.56) DRD2SLC6A3HTR3ALSSSRD5A1
SCHEMBL10982191 0.82 DRD2 (0.56) DRD2SLC6A3HTR3ALSSSRD5A1
SCHEMBL16234301 0.79 HTR2C (0.53) DRD2ADRB2SLC6A3HTR3AKDM1A
SCHEMBL26044222 0.79 CYP19A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL19262066 0.79 ADRB2 (0.44) ADRB2SLC6A3KDM1ARCOR1HTR2A
SCHEMBL10177764 0.79 HTR2C (0.53) DRD2ADRB2SLC6A3HTR3AKDM1A
SCHEMBL10177774 0.79 HTR2C (0.53) DRD2ADRB2SLC6A3HTR3AKDM1A
Water SCHEMBL27753769 0.78

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 DRD2 1243/4885ADRB2 63/4885SLC6A3 4309/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 DRD2 760/4885ADRB2 122/4885SLC6A3 3739/4885

“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.