SCHEMBL15033802

SCHEMBL15033802

Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)ncnc1C(=O)N1CCC(N2CCOC3COCCC32)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.55
CCR5 P51681 3/20 0.55
PSEN1 P49768 2/20 0.33
FASN P49327 4/20 0.31
TNK2 Q07912 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
KCNH2 Q12809 1/20 0.30
CCRL2 O00421 1/20 0.30

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
SCHEMBL15033669 1.00 CCR2 (0.55) CCR2CCR5PSEN1FASNTNK2
SCHEMBL15033817 1.00 CCR2 (0.55) CCR2CCR5PSEN1FASNTNK2
SCHEMBL15033670 0.93 CCR2 (0.46) CCR2CCR5TNK2IRAK4
SCHEMBL15033803 0.92 CCR2 (0.47) CCR2CCR5FASN
SCHEMBL15033673 0.92 CCR2 (0.47) CCR2CCR5FASN
SCHEMBL15033710 0.84 CCR2 (0.55) CCR2CCR5PSEN1CCRL2
SCHEMBL24176345 0.83 CCR2 (0.58) CCR2CCR5PSEN1FASN
SCHEMBL15849369 0.82 CCR2 (0.79) CCR2CCR5PSEN1
SCHEMBL26008093 0.82 CCR2 (0.79) CCR2CCR5PSEN1
SCHEMBL24176083 0.82 CCR2 (0.59) CCR2CCR5PSEN1FASNCCRL2

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 1 patent. 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

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 6/4885PSEN1 4701/4885

“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.