SCHEMBL15033716

SCHEMBL15033716

Cc1ccc([C@@H]2CCC[C@H](CNc3ncnc(C(=O)N4CCC(N5CC6COCC6C5)CC4)c3C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.46
CCR5 P51681 2/20 0.46
BTK Q06187 1/20 0.32
TNK2 Q07912 3/20 0.32
LCK P06239 1/20 0.32
PAK1 Q13153 1/20 0.32
MERTK Q12866 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
ADRA1A P35348 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 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
SCHEMBL15033710 0.92 CCR2 (0.55) CCR2CCR5
SCHEMBL15033712 0.91 CCR2 (0.41) CCR2CCR5BTKTNK2LCK
SCHEMBL18215076 0.88 CCR2 (0.46) CCR2CCR5BTKPAK1MERTK
SCHEMBL17278067 0.87 CCR2 (0.44) CCR2CCR5
SCHEMBL20039984 0.87 CCR2 (0.46) CCR2CCR5BTKTNK2PAK1
SCHEMBL24176496 0.86 CCR2 (0.47) CCR2CCR5BTKTNK2LCK
SCHEMBL18924971 0.86 CCR2 (0.47) CCR2CCR5BTKTNK2LCK
SCHEMBL3051267 0.85 CCR2 (0.41) CCR2CCR5TNK2LCKPAK1
SCHEMBL15849349 0.85 CCR2 (0.41) CCR2CCR5TNK2LCKPAK1
SCHEMBL15976598 0.85 CCR2 (0.41) CCR2CCR5TNK2LCKPAK1

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 6/4885BTK 4433/4885

“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.