SCHEMBL2967006

SCHEMBL2967006

C=CCn1c(C)c(C(=O)c2ccc(C)cc2)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.46
PPARG P37231 4/20 0.46
COMT P21964 1/20 0.45
ELANE P08246 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2972386 0.81 NPC1 (0.54) NPC1RAB9ARXFP1MAPTMAPK1
SCHEMBL2980269 0.78 COMT (0.50) COMTELANERXFP1MAPTTHRB
SCHEMBL2978448 0.75 MAPT (0.53) NPC1RAB9ARXFP1MAPTMAPK1
SCHEMBL2973717 0.74 PPARG (0.46) PTGDR2PPARGCOMTMAPT
SCHEMBL2973708 0.74 PPARG (0.46) PTGDR2PPARGCOMTMAPT
SCHEMBL2972609 0.74 PPARG (0.50) PTGDR2PPARG
SCHEMBL2972616 0.74 PPARG (0.50) PTGDR2PPARG
SCHEMBL2982065 0.71 MAPT (0.44) PTGDR2NPC1RAB9ARXFP1MAPT
SCHEMBL2983621 0.71 CNR1 (0.48) PPARGMAPT
SCHEMBL13078121 0.70 SMN1; SMN2 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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 (2 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 PTGDR2 1563/4885PPARG 430/4885COMT 1938/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 PTGDR2 1708/4885PPARG 498/4885COMT 2096/4885

“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.