SCHEMBL12236474

SCHEMBL12236474

Cc1c(OC2CCNCC2)ncnc1OC1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.48
▸ HSD11B1 P28845 4/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ MAPK7 Q13164 1/20 0.46
▸ BCL9 O00512 2/20 0.45
▸ CTNNB1 P35222 2/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ ADRB2 P07550 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL12236481 0.89 MGLL (0.46) GPR119PAK1PIK3CDPOLB
SCHEMBL12236480 0.89 MAPK7 (0.48) GPR119HSD11B1MAPK7BCL9CTNNB1
SCHEMBL20375412 0.86 GPR119 (0.46) GPR119HSD11B1HTR2BMAPK7PAK1
SCHEMBL12236476 0.86 GPR119 (0.48) GPR119SMN1; SMN2KDM4ECYP2C9
SCHEMBL12236417 0.85 GPR119 (0.51) GPR119HSD11B1MAPK7CYP2C9
SCHEMBL13272803 0.82 GPR119 (0.48) GPR119PIK3CDCYP2C9
SCHEMBL12236475 0.80 RBP4 (0.56) GPR119PIK3CD
SCHEMBL12236468 0.79 GPR119 (0.58) GPR119PIK3CDCYP2C9
SCHEMBL12236463 0.77 GPR119 (0.59) GPR119PIK3CD
SCHEMBL12236446 0.77 GPR119 (0.67) GPR119CYP2C9

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-2382204-B1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES MERCK SHARP & DOHME (US) 2018-07-11 — — EP disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 — — US disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 — — US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 — — US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 — — US 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-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES GPR119, GCGR, GPR65 GPR119 1/4885HSD11B1 1820/4885HTR2B 197/4885

“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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