SCHEMBL13701657

SCHEMBL13701657

CC(C)(C)NC(=O)c1ccc2occc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
CTNNB1 P35222 5/20 0.51
WNT3A P56704 5/20 0.51
NAMPT P43490 1/20 0.51
CHRNA7 P36544 5/20 0.48
HTR3A P46098 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12020481 0.82 HTR1B (0.63) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL30164255 0.81 HTR1B (0.61) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL14880251 0.80 HTR1B (0.56) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL12597509 0.79 CTNNB1 (0.55) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL3492979 0.79 CTNNB1 (0.56) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL3494527 0.78 HTR1B (0.58) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL14137372 0.77 MEN1 (0.59) NAMPTMEN1KMT2AMAPT
SCHEMBL103953 0.76 CTNNB1 (0.59) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL28431104 0.76 CTNNB1 (0.59) HTR1BTAS1R3TAS1R1CTNNB1WNT3A
SCHEMBL826046 0.76 HTR1B (0.59) HTR1BTAS1R3TAS1R1CTNNB1WNT3A

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
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
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 HTR1B 2098/4885TAS1R3 3911/4885TAS1R1 4304/4885

“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.