SCHEMBL9882913

SCHEMBL9882913

FC(F)(F)c1ccc(C2CC2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
PNMT P11086 1/20 0.47
HTR2C P28335 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
HTR2A P28223 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PDE2A O00408 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL31310705 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL16311794 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL15591909 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL16962406 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL16962405 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL1660877 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL3408785 0.77 PTGDR2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL15269917 0.74 HTR2C (0.56) CHRNB2CHRNA4CHRNB4CHRNA3PNMT
SCHEMBL19682735 0.74 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL31071936 0.74 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558298-B1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME LLC (US) 2026-03-11 EP disclosed
US-10968232-B2 Antidiabetic spirochroman compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-11-07 US disclosed
EP-3558298-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
WO-2018118670-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
EP-2457925-A1 Process for preparing a macrocyclic modulator of the ghrelin receptor and intermediates Tranzyme Pharma, Inc. (US) 2012-05-30 EP 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-10968232-B2 Antidiabetic spirochroman compounds GPR119, GPR52, GPR55 CHRNB2 2420/4885CHRNA4 2124/4885CHRNB4 2354/4885
US-20190337961-A1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS GPR119, GPR52, GPR55 CHRNB2 2420/4885CHRNA4 2124/4885CHRNB4 2354/4885

“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.