SCHEMBL2978448

SCHEMBL2978448

C=CCn1c(C)c(C(=O)c2ccc(C)cc2)c2cc(C)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CNR2 P34972 3/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GMNN O75496 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 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
SCHEMBL2982065 0.90 MAPT (0.44) MAPTNPC1RAB9ARXFP1MAPK1
SCHEMBL2969551 0.88 KDM4E (0.54) MAPTNPC1RAB9ALMNACNR1
SCHEMBL2972386 0.88 NPC1 (0.54) MAPTNPC1RAB9ARXFP1CNR2
SCHEMBL13078121 0.86 SMN1; SMN2 (0.42) MAPTLMNANPSR1TP53ALDH1A1
SCHEMBL2977504 0.84 PPARG (0.45) MAPTCYP1A2CYP2C19TP53PTGER4
SCHEMBL2983621 0.82 CNR1 (0.48) MAPTCNR2LMNATSHRCYP1A2
SCHEMBL2966979 0.81 TP53 (0.42) MAPTNPC1RAB9ARXFP1CNR2
SCHEMBL10084838 0.77 LMNA (0.55) MAPTGAALMNAMAPK1TSHR
SCHEMBL3738445 0.76 FAAH (0.45) MAPTGAALMNAALDH1A1MEN1
SCHEMBL2967006 0.75 PTGDR2 (0.46) MAPTNPC1RAB9ARXFP1MAPK1

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 10 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-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 MAPT 4724/4885NPC1 115/4885RAB9A 1207/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 MAPT 4727/4885NPC1 108/4885RAB9A 1362/4885

“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.