SCHEMBL15464723

SCHEMBL15464723

COc1cc2c(cn1)C(O)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.57
▸ CHRNB4 P30926 1/20 0.57
▸ CHRNA4 P43681 1/20 0.57
▸ CHRNA2 Q15822 1/20 0.57
▸ GFRA3 O60609 1/20 0.40
▸ RET P07949 1/20 0.40
▸ NNMT P40261 1/20 0.35
▸ POLL Q9UGP5 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ UGT2B17 O75795 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33

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
SCHEMBL16763017 0.90 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA4CHRNA2GFRA3
SCHEMBL29649333 0.77 CHRNA7 (0.55) CHRNB2CHRNB4CHRNA4CHRNA2GFRA3
SCHEMBL11713031 0.75 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA4CHRNA2PPARD
SCHEMBL11713808 0.74 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA4CHRNA2NNMT
SCHEMBL26307220 0.74 GFRA3 (0.43) CHRNB2CHRNB4CHRNA4CHRNA2GFRA3
SCHEMBL16800643 0.74 GFRA3 (0.43) CHRNB2CHRNB4CHRNA4CHRNA2GFRA3
SCHEMBL18094367 0.74 GFRA3 (0.43) CHRNB2CHRNB4CHRNA4CHRNA2GFRA3
SCHEMBL17691520 0.73 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA4CHRNA2CHRNA7
SCHEMBL29695532 0.72 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL1744686 0.72 MAOA (0.50) POLLCHRNA7CHRM4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 — — US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 — — US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 — — US disclosed
EP-2880028-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-06-10 — — EP disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 — — US disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 — — WO disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 — — 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 (2 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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 CHRNB2 1777/4885CHRNB4 1746/4885CHRNA4 1167/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 CHRNB2 1777/4885CHRNB4 1746/4885CHRNA4 1167/4885

“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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