SCHEMBL3014264

SCHEMBL3014264

CCOC(=O)C(C)(Cc1c[nH]c2cc(F)ccc12)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.44
▸ FBP1 P09467 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ PKM P14618 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ TACR1 P25103 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL3019423 0.87 GPR84 (0.44) GPR84FBP1HTR2APKMTSHR
SCHEMBL5643971 0.79 GPR84 (0.55) GPR84HTR1AHTR2APKMTSHR
SCHEMBL6388875 0.75 TSHR (0.53) GPR84HTR2ATSHRALDH1A1
SCHEMBL8261744 0.75 TSHR (0.53) GPR84HTR2ATSHRALDH1A1
SCHEMBL28299859 0.73 GPR84 (0.54) GPR84HTR1AHTR2ATSHRACHE
SCHEMBL3956747 0.72 HTR2B (0.54) GPR84HTR1A
SCHEMBL3956744 0.72 HTR2B (0.54) GPR84HTR1A
SCHEMBL12633102 0.72 GPR84 (0.67) GPR84HTR1AHTR2ANR3C1
SCHEMBL3945865 0.72 MEN1 (0.44) HTR1AALDH1A1TDP1
SCHEMBL3003809 0.71 GPR84 (0.54) GPR84HTR1AHTR2ATSHRACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-07-22 — — US disclosed
EP-2178537-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-04-28 — — EP disclosed
WO-2009011836-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2009-01-22 — — 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-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS GPR119, SSTR3, SSTR2 GPR84 148/4885FBP1 3413/4885HTR1A 51/4885

“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.

Send feedback