SCHEMBL17545463

SCHEMBL17545463

CC(C)(C)OC(=O)N1CCC(C2Cc3cc(Br)ccc3CO2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
FPR2 P25090 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL9936121 0.83 GPR119 (0.47) GPR119NPC1RAB9APTPN2PTPN1
SCHEMBL19203264 0.81 USP30 (0.48) GPR119NPC1RAB9ANAMPTKDM4E
SCHEMBL4536182 0.81 GPR119 (0.45) GPR119NPC1RAB9ANAMPTKDM4E
SCHEMBL17545481 0.78 GPR119 (0.43) GPR119NPC1RAB9ANAMPTMAPT
SCHEMBL180505 0.75 NAMPT (0.60) GPR119NAMPTKDM4EMAPTTHRB
SCHEMBL1263942 0.75 ESR2 (0.61) GPR119NPC1RAB9AUSP30
SCHEMBL15210269 0.75 FAAH (0.48) GPR119NPC1RAB9AMAPTFPR2
SCHEMBL5218502 0.74 NPC1 (0.50) GPR119NPC1RAB9AMAPTPTPN2
SCHEMBL2709205 0.73 FPR2 (0.51) GPR119NPC1RAB9AFPR2USP30
SCHEMBL17596554 0.73 RECQL (0.54) GPR119KDM4EMAPTTHRBPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 US disclosed
WO-2016022448-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 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-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R GPR119 1/4885NPC1 291/4885RAB9A 3285/4885

“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.