SCHEMBL14973016

SCHEMBL14973016

CCOC(=O)c1cnn(C)c1-c1cnn(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
TRPC1 P48995 2/20 0.43
TRPC3 Q13507 2/20 0.43
STIM1 Q13586 2/20 0.43
ORAI1 Q96D31 2/20 0.43
STIM2 Q9P246 2/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
CASP7 P55210 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NTRK1 P04629 1/20 0.41
FLT3 P36888 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
SCHEMBL14973170 0.88 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14973279 0.86 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14973098 0.85 CA12 (0.51) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14973156 0.85 MEN1 (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2826141 0.79 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14938263 0.75 NTRK1 (0.43) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL8343590 0.74 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15750737 0.74 ALDH1A1 (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL11890412 0.73 ALDH1A1 (0.71) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8345184 0.73 TRPC1 (0.67) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A MAPT 129/4885RAB9A 1090/4885NPC1 964/4885

“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.