SCHEMBL1745530

SCHEMBL1745530

CC(C)CCNc1nc(C(C)C)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.43
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM1 Q13255 1/20 0.38
ADORA2A P29274 1/20 0.37
GCK P35557 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
PIK3CG P48736 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
STAT1 P42224 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
PI4KB Q9UBF8 2/20 0.33

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
SCHEMBL12894438 0.84 TYR (0.46) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12894436 0.80 CCR4 (0.46) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12597158 0.80 CCR4 (0.41) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12191866 0.80 ALDH1A1 (0.51) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL3915875 0.76 KDM4E (0.57) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL5462531 0.75 CCR4 (0.60) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12191854 0.75 CCR4 (0.42) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12894447 0.74 PLAU (0.46) CCR4PIK3CGKDM4ENPY5R
SCHEMBL3913772 0.74 HTR7 (0.43) CCR4ADORA2AALDH1A1MAPTRAB9A
SCHEMBL11994346 0.74 CCR4 (0.50) CCR4CYP2D6CYP1A2CYP2C9GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR CCR4 1661/4885CYP2D6 4239/4885CYP1A2 4431/4885

“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.