SCHEMBL3783405

SCHEMBL3783405

O=C1COc2ccc(C(O)CN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
TRPV1 Q8NER1 6/20 0.40
KMT2A Q03164 1/20 0.40
CCR2 P41597 3/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
PARP1 P09874 2/20 0.38
TSHR P16473 1/20 0.37
USP30 Q70CQ3 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL3778720 0.88 PARP1 (0.51) TRPV1KMT2ACCR2MMP8MMP13
SCHEMBL13806701 0.87 CCR2 (0.42) CCR2DRD2
SCHEMBL3786876 0.87 HTR1A (0.45) TRPV1KMT2ACCR2MMP8MMP13
SCHEMBL3779175 0.85 PARP1 (0.47) TRPV1KMT2ACCR2MMP8MMP13
SCHEMBL13018996 0.82 CCR2 (0.40) CCR2
SCHEMBL4000700 0.78 TACR1 (0.43) TRPV1KMT2ACCR2MMP8MMP13
SCHEMBL3776521 0.78 PARP1 (0.44) TRPV1KMT2AMMP8MMP13PARP1
SCHEMBL3996746 0.76 TACR1 (0.44) TRPV1CCR2MMP8MMP13TSHR
SCHEMBL3998209 0.75 TACR1 (0.41) TRPV1CCR2MMP8MMP13TSHR
SCHEMBL3038616 0.75 TACR1 (0.47) KMT2ACCR2TSHR

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 6 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
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 US disclosed
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
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 OPRK1 159/4885TRPV1 97/4885KMT2A 2026/4885

“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.