SCHEMBL15033726

SCHEMBL15033726

Cc1c(Nc2cccc(C(F)(F)F)c2)nc(C2CC2)nc1C(=O)N1CCC(N2CCO[C@H]3COCC[C@H]32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.41
CCR5 P51681 3/20 0.41
CNR2 P34972 2/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV4 Q9HBA0 2/20 0.36
IDH2 P48735 2/20 0.36
GPR52 Q9Y2T5 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL15033761 1.00 CCR2 (0.41) CCR2CCR5CNR2MEN1LMNA
SCHEMBL17278071 1.00 CCR2 (0.41) CCR2CCR5CNR2MEN1LMNA
SCHEMBL15033679 0.92 CNR2 (0.41) CCR2CCR5CNR2MEN1LMNA
SCHEMBL15033671 0.90 CCR2 (0.40) CCR2CCR5CNR2MEN1LMNA
SCHEMBL15033680 0.90 CCR2 (0.40) CCR2CCR5CNR2MEN1LMNA
SCHEMBL15033677 0.88 CCR2 (0.46) CCR2CCR5CNR2GPR52KCNH2
SCHEMBL14318471 0.86 CCR2 (0.50) CCR2CCR5CNR2LMNAMAPT
SCHEMBL14318481 0.86 CCR2 (0.50) CCR2CCR5CNR2LMNAMAPT
SCHEMBL16257556 0.81 CCR2 (0.61) CCR2CCR5CNR2
SCHEMBL16257524 0.81 CCR2 (0.61) CCR2CCR5CNR2

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
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP 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 6/4885CNR2 21/4885

“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.