SCHEMBL15033670

SCHEMBL15033670

Cc1ccc([C@@H]2CCC[C@H](CNc3ncnc(C(=O)N4CCC(N5CCOC6COCCC65)CC4)c3C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.46
CCR5 P51681 2/20 0.46
TNK2 Q07912 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LCK P06239 1/20 0.31
LRRK2 Q5S007 1/20 0.31
HPGD P15428 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 0.93 CCR2 (0.55) CCR2CCR5TNK2IRAK4
SCHEMBL15033817 0.93 CCR2 (0.55) CCR2CCR5TNK2IRAK4
SCHEMBL15033802 0.93 CCR2 (0.55) CCR2CCR5TNK2IRAK4
SCHEMBL15033803 0.92 CCR2 (0.47) CCR2CCR5
SCHEMBL15033673 0.92 CCR2 (0.47) CCR2CCR5
SCHEMBL15033716 0.83 CCR2 (0.46) CCR2CCR5TNK2IRAK4LCK
SCHEMBL20039984 0.82 CCR2 (0.46) CCR2CCR5TNK2HPGD
SCHEMBL24176496 0.81 CCR2 (0.47) CCR2CCR5TNK2LCKHPGD
SCHEMBL18924971 0.81 CCR2 (0.47) CCR2CCR5TNK2LCKHPGD
SCHEMBL15849345 0.81 CCR2 (0.69) CCR2CCR5TNK2LCK

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 6/4885TNK2 1636/4885

“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.