SCHEMBL15078641

SCHEMBL15078641

CC(C)(C)OC(=O)Nc1cc(CCN)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
SLC13A3 Q8WWT9 1/20 0.41
MAPT P10636 1/20 0.41
CCR2 P41597 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 3/20 0.39
CYP17A1 P05093 1/20 0.38
ACP1 P24666 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
P2RX1 P51575 2/20 0.37
P2RX7 Q99572 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL27118826 0.90 RXFP1 (0.46) RXFP1SLC13A3MAPTCCR2GPR35
SCHEMBL788007 0.85 SLC13A3 (0.43) RXFP1SLC13A3MAPTCCR2GPR35
SCHEMBL27969948 0.84 SLC13A3 (0.46) RXFP1SLC13A3MAPTCCR2GPR35
SCHEMBL8574413 0.83 MAPT (0.57) RXFP1SLC13A3MAPTGPR35ALDH1A1
SCHEMBL15077304 0.83 CYP17A1 (0.40) CYP17A1TOP2ATOP2BCYP1A2
SCHEMBL6815815 0.82 RXFP1 (0.44) RXFP1SLC13A3MAPTCCR2GPR35
SCHEMBL14793217 0.82 RXFP1 (0.44) RXFP1SLC13A3MAPTCCR2GPR35
SCHEMBL12475072 0.81 GPR35 (0.49) MAPTTAAR1GPR35ALDH1A1LMNA
SCHEMBL687306 0.80 RXFP1 (0.48) RXFP1SLC13A3MAPTCCR2GPR35
SCHEMBL7075937 0.79 ALDH1A1 (0.43) RXFP1SLC13A3MAPTCCR2GPR35

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-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 RXFP1 147/4885SLC13A3 4323/4885MAPT 2899/4885

“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.