SCHEMBL3786876

SCHEMBL3786876

O=C1COc2ccc(CCN3CCC(CC4CC4)(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2N1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.45
SLC6A4 P31645 7/20 0.45
HTR1D P28221 7/20 0.45
HTR1B P28222 7/20 0.45
DRD2 P14416 4/20 0.43
HTR2A P28223 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PARP1 P09874 2/20 0.42
KMT2A Q03164 1/20 0.41
CCR2 P41597 1/20 0.41
DRD4 P21917 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
SCHEMBL3778720 0.92 PARP1 (0.51) HTR1DDRD2MMP8MMP13TRPV1
SCHEMBL3779175 0.89 PARP1 (0.47) DRD2MMP8MMP13TRPV1PARP1
SCHEMBL3783405 0.87 OPRK1 (0.42) DRD2MMP8MMP13TRPV1PARP1
SCHEMBL3776521 0.81 PARP1 (0.44) HTR1DDRD2MMP8MMP13TRPV1
SCHEMBL13063405 0.79 PARP1 (0.47) HTR1DDRD2PARP1KMT2ADRD4
SCHEMBL3788102 0.79 CCR2 (0.43) HTR1AHTR1DHTR1BCCR2
SCHEMBL3038616 0.77 TACR1 (0.47) KMT2ACCR2
SCHEMBL3783751 0.76 CCR2 (0.42) HTR1ACCR2
SCHEMBL3791058 0.76 CCR2 (0.44) CCR2
SCHEMBL4000695 0.75 PARP1 (0.39) HTR1ADRD2HTR2AMMP8MMP13

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 7 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
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 WO 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 HTR1A 558/4885SLC6A4 3749/4885HTR1D 643/4885

“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.