SCHEMBL2079560

SCHEMBL2079560

CC(C)NC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.45
CCR5 P51681 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRB2 P07550 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
GLP1R P43220 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 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
SCHEMBL2081759 0.84 GAA (0.45) CCR2CCR5ADRB2HRH1DRD3
SCHEMBL2080677 0.81 CCR2 (0.50) CCR2CCR5NPSR1ADRB2HRH1
SCHEMBL13043839 0.81 CCR2 (0.50) CCR2CCR5NPSR1ADRB2HRH1
SCHEMBL5741416 0.80 CCR2 (0.49) CCR2CCR5NPSR1ADRB2HRH1
SCHEMBL14014922 0.77 MEN1 (0.50) CCR2CCR5NPSR1ADRB2HRH1
SCHEMBL7107871 0.77 CCR2 (0.49) CCR2CCR5NPSR1ADRB2HRH1
SCHEMBL24263353 0.76 MEN1 (0.57) NPSR1LMNAKDM4EMEN1KMT2A
SCHEMBL2993504 0.74 CCR2 (0.61) CCR2CCR5NPSR1ADRB2HRH1
SCHEMBL12885976 0.73 MEN1 (0.53) CCR2CCR5NPSR1LMNAKDM4E
SCHEMBL12516836 0.70 NPSR1 (0.57) NPSR1TRPV1MRGPRX4CFTR

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-7863317-B2 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20070197516-A1 LACTAMS OF ALKYLATED ACYCLIC DIAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-23 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-20070197516-A1 LACTAMS OF ALKYLATED ACYCLIC DIAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCR1, CCL2 CCR2 4/4885CCR5 25/4885NPSR1 792/4885

“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.