SCHEMBL16800643

SCHEMBL16800643

O[C@H]1CCc2cc(Cl)ncc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GFRA3 O60609 1/20 0.43
▸ RET P07949 1/20 0.43
▸ CHRNB2 P17787 4/20 0.42
▸ CHRNA4 P43681 4/20 0.42
▸ TRPM5 Q9NZQ8 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ PYGL P06737 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA2 Q15822 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ MAP3K14 Q99558 1/20 0.31
▸ MAP4K4 O95819 2/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18094367 1.00 GFRA3 (0.43) GFRA3RETCHRNB2CHRNA4TRPM5
SCHEMBL29649333 0.78 CHRNA7 (0.55) GFRA3RETCHRNB2CHRNA4CHRNA7
SCHEMBL15464723 0.74 CHRNB2 (0.57) GFRA3RETCHRNB2CHRNA4CHRNA7
SCHEMBL9251756 0.72 HTR2A (0.43) GFRA3RETCHRNB2CHRNA4PYGL
SCHEMBL30686717 0.72 HTR2A (0.43) GFRA3RETCHRNB2CHRNA4PYGL
SCHEMBL20722496 0.72 SLC6A4 (0.36) CHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL30968479 0.72 SLC6A4 (0.36) CHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL24781339 0.71 CHRNB2 (0.43) CHRNB2CHRNA4TRPM5CHRNA7ALDH1A1
SCHEMBL23977005 0.71 CHRNB2 (0.43) CHRNB2CHRNA4TRPM5CHRNA7ALDH1A1
SCHEMBL8300869 0.69 CHRNB2 (0.42) CHRNB2CHRNA4TRPM5CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3076959-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-07-04 — — EP disclosed
EP-3076959-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-07-04 — — EP disclosed
US-9957219-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US disclosed
US-9957219-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US disclosed
US-9957219-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-05-01 — — US disclosed
US-20160280626-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-09-29 — — US disclosed
US-20160280626-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-09-29 — — US disclosed
US-20160280626-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-09-29 — — US disclosed
WO-2015084692-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-11 — — 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-20160280626-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R GFRA3 2008/4885RET 912/4885CHRNB2 1786/4885

“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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