SCHEMBL17829674

SCHEMBL17829674

CCN(CC)CCCC(C)Nc1nc(-c2ccc(C(=O)OC)cc2)nc2c(Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.51
TMEM97 Q5BJF2 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
CACNA2D1 P54289 3/20 0.42
FLT3 P36888 1/20 0.42
PGK1 P00558 1/20 0.42
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL17829664 0.88 CCR4 (0.62) CCR4CACNA2D1FLT3
SCHEMBL17829670 0.87 CCR4 (0.61) CCR4CACNA2D1FLT3
SCHEMBL17829855 0.83 CCR4 (0.63) CCR4CACNA2D1FLT3MELK
SCHEMBL17830140 0.80 CCR4 (0.54) CCR4CACNA2D1FLT3
SCHEMBL17829619 0.80 CCR4 (0.57) CCR4CACNA2D1FLT3
SCHEMBL17829804 0.76 CCR4 (0.64) CCR4CACNA2D1FLT3MELKCSK
SCHEMBL17829812 0.75 CCR4 (0.56) CCR4CACNA2D1FLT3MELKCSK
SCHEMBL17829852 0.74 CCR4 (0.52) CCR4CACNA2D1FLT3MELKCSK
SCHEMBL17829627 0.73 CCR4 (0.63) CCR4CACNA2D1FLT3
SCHEMBL17833178 0.73 CCR4 (0.55) CCR4TMEM97SIGMAR1CACNA2D1FLT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 CCR4 4472/4885TMEM97 4187/4885SIGMAR1 1433/4885

“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.