SCHEMBL13702178

SCHEMBL13702178

CC(C)NC(=O)c1ccc(=O)n(CCN2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
BRD4 O60885 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
GLA P06280 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
SCHEMBL13702184 0.99 HRH3 (0.50) HRH3KCNH2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL14007204 0.91 HRH3 (0.58) HRH3KCNH2SMN1; SMN2CYP2D6CYP2C9
SCHEMBL13702414 0.86 BRD4 (0.57) HRH3KCNH2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL13702412 0.85 BRD4 (0.56) HRH3KCNH2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL13702154 0.85 BRD4 (0.45) HRH3KCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL13702317 0.84 KCNH2 (0.51) HRH3KCNH2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL14007191 0.83 ALDH1A1 (0.49) HRH3CYP1A2CYP2C19ALDH1A1POLB
SCHEMBL13702337 0.83 PIK3CA (0.51) HRH3KCNH2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL13701773 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13701777 0.82 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX HRH3 127/4885KCNH2 2833/4885SMN1; SMN2 4398/4885

“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.