SCHEMBL3019423

SCHEMBL3019423

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.44
▸ FBP1 P09467 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ ALOX15 P16050 4/20 0.39
▸ THRB P10828 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL3014264 0.87 GPR84 (0.44) GPR84FBP1PKMTSHRHTR2A
SCHEMBL4689379 0.78 TSHR (0.44) GPR84NR4A2TSHRHTR2A
SCHEMBL27917110 0.73 GPR84 (0.54) GPR84NR4A2SLC6A4CYP1A2TSHR
SCHEMBL3954354 0.72 MTNR1A (0.54) SLC6A4LMNAMAPTCYP1A2CYP3A4
SCHEMBL3954350 0.72 MTNR1A (0.54) SLC6A4LMNAMAPTCYP1A2CYP3A4
SCHEMBL3184502 0.72 GPR84 (0.67) GPR84NR4A2SLC6A4HTR2A
SCHEMBL3945865 0.72 MEN1 (0.44) LMNAMAPTCYP1A2CYP3A4PMP22
SCHEMBL14317336 0.71 GPR84 (0.54) GPR84NR4A2SLC6A4PKMLMNA
SCHEMBL3015319 0.71 GPR84 (0.54) GPR84NR4A2SLC6A4ALOX15MAPT
SCHEMBL3015316 0.71 GPR84 (0.54) GPR84NR4A2SLC6A4ALOX15MAPT

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 3413/4885NR4A2 544/4885

“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.

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