SCHEMBL3204829

SCHEMBL3204829

CC(=O)OCC1COc2cc(Cl)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.38
USP2 O75604 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 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
SCHEMBL3203094 0.85 AKR1B1 (0.39) FFAR1CYP2C9
SCHEMBL3216034 0.81 MAOB (0.33) FFAR1USP2CYP2C9CYP2B6SLCO1B3
SCHEMBL17363934 0.79 NR3C1 (0.42) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL17363890 0.79 NR3C1 (0.42) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL17363948 0.79 NR3C1 (0.42) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL20804518 0.78 AR (0.40) SMN1; SMN2
SCHEMBL3214130 0.78 TRPM5 (0.37)
SCHEMBL19776291 0.75 FFAR1 (0.54) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL19776202 0.75 FFAR1 (0.54) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL5530352 0.75 NLRP3 (0.35) CYP2C9

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R FFAR1 279/4885USP2 3883/4885HPGD 1159/4885

“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.