SCHEMBL10177552

SCHEMBL10177552

CCC1CCCC(c2ccc(OC)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR2C P28335 1/20 0.41
CNR2 P34972 1/20 0.39

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
SCHEMBL10431869 0.88 DRD2 (0.49) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL10431867 0.88 DRD2 (0.49) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL10177725 0.86 HTR2C (0.50) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL30951776 0.84 KDM1A (0.52) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL6463482 0.81 DRD2 (0.46) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL6463486 0.81 DRD2 (0.46) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL1515040 0.80 DRD2 (0.56) DRD2ALDH1A1MAPTSMN1; SMN2KDM1A
SCHEMBL23547673 0.80 CNR2 (0.41) CNR2
SCHEMBL15629800 0.80 DRD2 (0.46) DRD2CNR2
SCHEMBL8587317 0.80 ALDH1A1 (0.47) DRD2ALDH1A1MAPTSMN1; SMN2

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 1243/4885ALDH1A1 1071/4885MAPT 4507/4885
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 DRD2 760/4885ALDH1A1 1952/4885MAPT 4651/4885

“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.