SCHEMBL13063405

SCHEMBL13063405

O=C1COc2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cc(CF)cc(CF)c4)C3)cc2N1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.47
DRD4 P21917 8/20 0.45
DRD2 P14416 7/20 0.45
MCHR2 Q969V1 2/20 0.45
MCHR1 Q99705 2/20 0.45
KCNH2 Q12809 1/20 0.45
DRD3 P35462 3/20 0.44
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
USP30 Q70CQ3 1/20 0.40
HTR1D P28221 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL3779175 0.90 PARP1 (0.47) PARP1DRD4DRD2MCHR2MCHR1
SCHEMBL3776521 0.85 PARP1 (0.44) PARP1DRD4DRD2MCHR2MCHR1
SCHEMBL3778720 0.85 PARP1 (0.51) PARP1DRD4DRD2MCHR2MCHR1
SCHEMBL3786876 0.79 HTR1A (0.45) PARP1DRD4DRD2KMT2AHTR1D
SCHEMBL3791058 0.76 CCR2 (0.44) KCNH2
SCHEMBL3783405 0.75 OPRK1 (0.42) PARP1DRD4DRD2KMT2ATSHR
SCHEMBL3783751 0.74 CCR2 (0.42) KCNH2USP30
SCHEMBL13063404 0.73 CTSC (0.34) MCHR2MCHR1KCNH2KMT2A
SCHEMBL3033924 0.72 CCR2 (0.43) MCHR1KCNH2TSHR
SCHEMBL3787852 0.71 CCR2 (0.37) KCNH2TSHR

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-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 PARP1 1013/4885DRD4 2433/4885DRD2 1453/4885

“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.