SCHEMBL3789121

SCHEMBL3789121

CC(NC(=O)C1(CC2CC2)CCN(Cc2ccc3ccc(=O)n(C)c3c2)C1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
MCHR1 Q99705 2/20 0.39
MCHR2 Q969V1 1/20 0.39
ACKR3 P25106 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 4/20 0.33
AKT1 P31749 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TACR1 P25103 1/20 0.31
PTGER4 P35408 3/20 0.31
DYRK1A Q13627 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL3782902 0.86 KCNH2 (0.39) KCNH2MCHR1MCHR2ACKR3GAA
SCHEMBL3788446 0.84 GLS (0.42) KCNH2MCHR1MCHR2ACKR3
SCHEMBL3788883 0.81 CCR2 (0.43) KCNH2MCHR1MCHR2GAASMN1; SMN2
SCHEMBL13063421 0.81 CCR2 (0.43) KCNH2MCHR1MCHR2GAASMN1; SMN2
SCHEMBL3040635 0.78 EBP (0.39) KCNH2ACACBTACR1
SCHEMBL3791337 0.78 KCNH2 (0.39) KCNH2MCHR1MCHR2ACKR3GAA
SCHEMBL3787848 0.78 CCR2 (0.45) KCNH2MCHR1MCHR2
SCHEMBL3787224 0.77 CCR2 (0.39) KCNH2MCHR1MCHR2SMN1; SMN2TACR1
SCHEMBL3742106 0.76 CCR2 (0.42) KCNH2SIGMAR1
SCHEMBL3735950 0.76 CCR2 (0.42) KCNH2SIGMAR1

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
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

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 KCNH2 4417/4885MCHR1 325/4885MCHR2 394/4885

“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.