SCHEMBL2541898

SCHEMBL2541898

CC(C)(C)OC(=O)N1CCC(Oc2cc(=O)n(-c3ccc(Br)cc3F)nc2C(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ CACNB4 O00305 1/20 0.40
▸ CACNA1A O00555 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNG3 O60359 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNB3 P54284 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNG7 P62955 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ CACNG1 Q06432 1/20 0.40
▸ CACNB2 Q08289 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ CACNA1E Q15878 1/20 0.40

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
SCHEMBL14237444 0.92 SMN1; SMN2 (0.47) GPR119SMN1; SMN2KDM1ACACNB4CACNA1A
SCHEMBL2538429 0.91 GPR119 (0.46) GPR119SMN1; SMN2CACNB4CACNA1ACACNA1G
SCHEMBL2546749 0.88 FPR2 (0.37) GPR119SMN1; SMN2
SCHEMBL2541926 0.86 GPR119 (0.46) GPR119SMN1; SMN2CACNB4CACNA1ACACNA1G
SCHEMBL2540906 0.85 GPR119 (0.45) GPR119SMN1; SMN2KDM1ACACNB4CACNA1A
SCHEMBL2542239 0.80 GPR119 (0.48) GPR119KDM1A
SCHEMBL13718678 0.79 GPR119 (0.66) GPR119KDM1APDE4BPDE4DPDE4A
SCHEMBL2546305 0.79 NPBWR1 (0.49) GPR119SMN1; SMN2KDM1ACACNB4CACNA1A
SCHEMBL2545267 0.78 GPR119 (0.60) GPR119
SCHEMBL2540793 0.77 ALDH1A1 (0.50) GPR119SMN1; SMN2KDM1ACHEK2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (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 (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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885SMN1; SMN2 2820/4885KDM1A 2178/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885SMN1; SMN2 2854/4885KDM1A 2298/4885

“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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