SCHEMBL3786528

SCHEMBL3786528

O=C(NCc1cncc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2ccc3[nH]nc(F)c3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 8/20 0.40
GSK3B P49841 2/20 0.39
CCR2 P41597 4/20 0.38
DYRK1A Q13627 10/20 0.38
MCHR2 Q969V1 1/20 0.37
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
GLS O94925 2/20 0.35
KCNH2 Q12809 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
SCHEMBL3792349 0.93 CCR2 (0.45) GSK3BCCR2MCHR2KCNH2
SCHEMBL3781517 0.87 DRD4 (0.46) CCR2
SCHEMBL4128765 0.85 CCR2 (0.38) WNT1CCR2DYRK1AMCHR2GLS
SCHEMBL3784437 0.82 CCR2 (0.35) CCR2MCHR2GLSKCNH2
SCHEMBL3787852 0.81 CCR2 (0.37) CCR2GLSKCNH2
SCHEMBL3028961 0.81 CCR2 (0.37) CCR2GLSKCNH2
SCHEMBL3776521 0.80 PARP1 (0.44) MCHR2KCNH2
SCHEMBL3787792 0.79 DRD4 (0.47) CCR2
SCHEMBL3782902 0.79 KCNH2 (0.39) CCR2MCHR2GLSKCNH2
SCHEMBL3785872 0.79 CCR2 (0.38) CCR2GLSKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US claimed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 WNT1 4225/4885GSK3B 3285/4885CCR2 1/4885

“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.