SCHEMBL788007

SCHEMBL788007

CN(C)CCc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A3 Q8WWT9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TACR1 P25103 3/20 0.40
MAPT P10636 1/20 0.40
CCR2 P41597 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
CYP17A1 P05093 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
ACP1 P24666 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 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
SCHEMBL15078641 0.85 RXFP1 (0.44) SLC13A3RXFP1MAPTCCR2GPR35
SCHEMBL15077302 0.84 HRH3 (0.41) HRH3CYP17A1
SCHEMBL12475144 0.83 TACR1 (0.47) TACR1MAPTCCR2HRH3GPR35
SCHEMBL27118826 0.82 RXFP1 (0.46) SLC13A3RXFP1MAPTCCR2GPR35
SCHEMBL27969948 0.82 SLC13A3 (0.46) SLC13A3RXFP1MAPTCCR2GPR35
SCHEMBL8574413 0.81 MAPT (0.57) SLC13A3RXFP1TACR1MAPTGPR35
SCHEMBL14793217 0.80 RXFP1 (0.44) SLC13A3RXFP1MAPTCCR2GPR35
SCHEMBL6815815 0.80 RXFP1 (0.44) SLC13A3RXFP1TACR1MAPTCCR2
SCHEMBL7075937 0.77 ALDH1A1 (0.43) SLC13A3RXFP1MAPTCCR2GPR35
SCHEMBL26092645 0.76 CYP2D6 (0.47) ALDH1A1KDR

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 SLC13A3 4323/4885RXFP1 147/4885TACR1 4251/4885

“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.