SCHEMBL14973157

SCHEMBL14973157

CN(NC(=O)c1cnn(C)c1COc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.42
NR1H2 P55055 8/20 0.42
NR1H3 Q13133 6/20 0.42
SLC6A5 Q9Y345 4/20 0.38
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FLT3 P36888 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.35
SMPD1 P17405 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35

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
SCHEMBL14972953 0.82 ALDH1A1 (0.52) SLC6A5MAOBALDH1A1FLT3MAPT
SCHEMBL14973190 0.81 SLC6A5 (0.43) SLC6A5MAOBALDH1A1FLT3MCHR1
Hydrochloric Acid SCHEMBL14973129 0.80 SLC6A5 (0.42) SLC6A5MAOBALDH1A1FLT3MCHR1
SCHEMBL14972951 0.78 MAOB (0.52) SLC6A5MAOBALDH1A1FLT3MAPT
SCHEMBL14972954 0.78 KDM4C (0.47) SLC6A5MAOBALDH1A1FLT3
SCHEMBL14973189 0.78 MAOB (0.42) SLC6A5MAOBALDH1A1FLT3ADRA1D
SCHEMBL14973243 0.77 BCHE (0.41) SLC6A5MAOBALDH1A1FLT3ADRA1D
SCHEMBL14973018 0.76 MAOB (0.44) SLC6A5MAOBALDH1A1FLT3
SCHEMBL14972952 0.74 MAPT (0.52) MAOBALDH1A1MAPT
SCHEMBL14973345 0.74 CA12 (0.46) SLC6A5MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
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 RXRA 1575/4885NR1H2 456/4885NR1H3 426/4885

“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.