SCHEMBL21064883

SCHEMBL21064883

CC(C)Oc1nc(-c2ccc(Br)cc2Cl)nn1COCCS(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
CRHR1 P34998 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
EGFR P00533 2/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31

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
SCHEMBL20428782 0.93 DGAT1 (0.41) DGAT1CRHR1DPP4DPP7
SCHEMBL21064879 0.88 DGAT1 (0.55) DGAT1
SCHEMBL16661248 0.87 DGAT1 (0.56) DGAT1CRHR1DPP4DPP7EGFR
SCHEMBL16661257 0.82 DGAT1 (0.38) DGAT1CRHR1EGFRTUBB4ATUBB
SCHEMBL18552911 0.82 DGAT1 (0.38) DGAT1CRHR1DPP4DPP7EGFR
SCHEMBL20428828 0.77 DGAT1 (0.31) DGAT1
SCHEMBL16661275 0.76 PDE10A (0.34) DGAT1
SCHEMBL16661005 0.75 DGAT1 (0.72) DGAT1
SCHEMBL20428811 0.73 DGAT1 (0.45) DGAT1
SCHEMBL21064882 0.73 DGAT1 (0.78) DGAT1

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-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 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-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 DGAT1 1688/4885CRHR1 266/4885DPP4 955/4885

“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.