SCHEMBL10177557

SCHEMBL10177557

CCC1CCC(c2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
SLC6A3 Q01959 2/20 0.42
HTR3A P46098 1/20 0.42
LSS P48449 2/20 0.40
IDO1 P14902 1/20 0.39
SRD5A1 P18405 2/20 0.39
SLC2A1 P11166 1/20 0.39
CYP2C9 P11712 2/20 0.38
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38
ADRB2 P07550 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 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
SCHEMBL6453238 0.90 DRD2 (0.44) DRD2SLC6A3HTR3ALSSIDO1
SCHEMBL6453234 0.90 DRD2 (0.44) DRD2SLC6A3HTR3ALSSIDO1
SCHEMBL15629800 0.89 DRD2 (0.46) DRD2SLC6A3HTR3ALSS
SCHEMBL10177543 0.89 DRD2 (0.56) DRD2SLC6A3HTR3ALSSIDO1
SCHEMBL10982191 0.89 DRD2 (0.56) DRD2SLC6A3HTR3ALSSIDO1
SCHEMBL10177536 0.86 DRD2 (0.49) DRD2SLC6A3HTR3ALSSSRD5A1
SCHEMBL6453157 0.86 DRD2 (0.41) DRD2SLC6A3HTR3ALSSIDO1
SCHEMBL6453160 0.86 DRD2 (0.41) DRD2SLC6A3HTR3ALSSIDO1
SCHEMBL12031931 0.86 DRD2 (0.50) DRD2SLC6A3HTR3ALSSCYP2C9
SCHEMBL8015276 0.84 DRD2 (0.51) DRD2SLC6A3HTR3ALSSIDO1

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 4 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

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 1243/4885SLC6A3 4309/4885HTR3A 909/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 DRD2 760/4885SLC6A3 3739/4885HTR3A 458/4885

“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.