SCHEMBL3778720

SCHEMBL3778720

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
DRD4 P21917 9/20 0.49
DRD2 P14416 8/20 0.49
DRD3 P35462 4/20 0.45
KCNH2 Q12809 1/20 0.45
MCHR2 Q969V1 1/20 0.45
MCHR1 Q99705 1/20 0.45
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KMT2A Q03164 1/20 0.42
CCR2 P41597 1/20 0.42
HTR1D P28221 1/20 0.40
TSHR P16473 1/20 0.40

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 0.95 PARP1 (0.47) PARP1DRD4DRD2DRD3KCNH2
SCHEMBL3786876 0.92 HTR1A (0.45) PARP1DRD4DRD2MMP8MMP13
SCHEMBL3783405 0.88 OPRK1 (0.42) PARP1DRD4DRD2MMP8MMP13
SCHEMBL3776521 0.87 PARP1 (0.44) PARP1DRD4DRD2DRD3KCNH2
SCHEMBL3038616 0.85 TACR1 (0.47) MCHR1KMT2ACCR2TSHR
SCHEMBL13063405 0.85 PARP1 (0.47) PARP1DRD4DRD2DRD3KCNH2
SCHEMBL3788102 0.84 CCR2 (0.43) KCNH2CCR2HTR1DTSHR
SCHEMBL14221707 0.83 MAPT (0.48) MCHR1TRPV1KMT2ACCR2TSHR
SCHEMBL3034250 0.83 FAAH (0.44) KCNH2MCHR1CCR2TSHR
SCHEMBL3043043 0.82 MEN1 (0.48) MCHR1KMT2ACCR2TSHR

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 5 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

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.