SCHEMBL17829638

SCHEMBL17829638

CCN(CC)CCCC(C)Nc1nc(-c2cn(C)c3ccccc23)nc2c(C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.48
FLT3 P36888 1/20 0.47
CACNA2D1 P54289 6/20 0.45
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH3 Q9ULD8 1/20 0.40
ALOX15 P16050 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
SCHEMBL17829654 0.87 CCR4 (0.49) CCR4FLT3CACNA2D1CYP3A4KDM4E
SCHEMBL17829794 0.87 CCR4 (0.44) CCR4FLT3CACNA2D1CYP3A4KDM4E
SCHEMBL17833263 0.81 CCR4 (0.51) CCR4FLT3CACNA2D1
SCHEMBL17829572 0.80 CCR4 (0.47) CCR4FLT3CACNA2D1KCNH3
SCHEMBL17829627 0.80 CCR4 (0.63) CCR4FLT3CACNA2D1
SCHEMBL17829618 0.80 CCR4 (0.53) CCR4FLT3CACNA2D1
SCHEMBL17829620 0.79 CCR4 (0.76) CCR4FLT3CACNA2D1CYP3A4KDM4E
SCHEMBL17829807 0.78 CCR4 (0.72) CCR4FLT3CACNA2D1CYP3A4KDM4E
SCHEMBL17833269 0.78 CCR4 (0.41) CCR4FLT3CACNA2D1CYP3A4KDM4E
SCHEMBL17833017 0.77 CCR4 (0.47) CCR4FLT3CACNA2D1

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 4472/4885FLT3 870/4885CACNA2D1 2133/4885

“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.