SCHEMBL15077173

SCHEMBL15077173

CN(C)CCc1cc(C(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.46
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
KCNH2 Q12809 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
IDO1 P14902 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR1D P28221 1/20 0.38
DAO P14920 1/20 0.37
CCR2 P41597 3/20 0.37

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
SCHEMBL14492896 0.93 TACR1 (0.50) TACR1NOS3NOS1NOS2TAAR1
SCHEMBL15077165 0.90 KCNH2 (0.51) TACR1NOS3NOS1NOS2KCNH2
SCHEMBL10169147 0.82 NOS1 (0.44) TACR1NOS3NOS1NOS2TAAR1
SCHEMBL22028466 0.81 TACR1 (0.52) TACR1NOS3NOS1NOS2KCNH2
SCHEMBL15077170 0.81 CYP2C19 (0.47) TACR1IDO1
SCHEMBL806193 0.81 NOS1 (0.49) TACR1NOS3NOS1NOS2TAAR1
Hydrochloric Acid SCHEMBL787716 0.79 NOS1 (0.50) TACR1NOS3NOS1NOS2TAAR1
SCHEMBL14092979 0.76 SYK (0.38) TACR1CCR2
SCHEMBL22861023 0.76 GABRB2 (0.52) TACR1IDO1HTR1D
SCHEMBL1104677 0.76 GABRB2 (0.52) TACR1IDO1HTR1D

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 TACR1 4251/4885NOS3 3097/4885NOS1 1852/4885

“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.