SCHEMBL15032052

SCHEMBL15032052

Cc1c(C(=O)N2CCC(N3CC4COCC4C3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.71
CCR5 P51681 3/20 0.50
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.37
FFAR1 O14842 1/20 0.35
ADRA1A P35348 4/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SCN9A Q15858 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL12184078 0.91 CCR2 (0.76) CCR2CCR5LMNAADRA1AALDH1A1
SCHEMBL15032048 0.90 CCR2 (0.75) CCR2CCR5LMNARECQLFFAR1
SCHEMBL14945908 0.90 CCR2 (0.79) CCR2CCR5LMNAADRA1AALDH1A1
SCHEMBL12184105 0.89 CCR2 (0.78) CCR2CCR5LMNAADRA1AALDH1A1
SCHEMBL14945907 0.88 CCR2 (0.79) CCR2CCR5LMNARECQLFFAR1
SCHEMBL15032047 0.87 CCR2 (0.84) CCR2CCR5LMNARECQLFFAR1
SCHEMBL14945912 0.87 CCR2 (0.70) CCR2CCR5LMNAADRA1AALDH1A1
SCHEMBL12184102 0.84 CCR2 (0.76) CCR2CCR5LMNARECQLALDH1A1
SCHEMBL14948792 0.83 CCR2 (0.64) CCR2CCR5LMNA
SCHEMBL14945719 0.83 CCR2 (1.00) CCR2CCR5LMNAADRA1ASCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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 (1 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 CCR2 1/4885CCR5 6/4885LMNA 4785/4885

“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.