SCHEMBL12234573

SCHEMBL12234573

CC1CN(c2ncc(C3CC3)cn2)CCC1Oc1cc(=O)n(-c2ccc(C#N)c(F)c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.51
▸ KCNH2 Q12809 1/20 0.42
▸ SCD O00767 2/20 0.40
▸ KDM1A O60341 4/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.34
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL2541768 1.00 GPR119 (0.51) GPR119KCNH2SCDKDM1ATRPV4
SCHEMBL2541769 1.00 GPR119 (0.51) GPR119KCNH2SCDKDM1ATRPV4
SCHEMBL2545449 1.00 GPR119 (0.51) GPR119KCNH2SCDKDM1ATRPV4
SCHEMBL1550695 1.00 GPR119 (0.51) GPR119KCNH2SCDKDM1ATRPV4
SCHEMBL2545446 1.00 GPR119 (0.51) GPR119KCNH2SCDKDM1ATRPV4
SCHEMBL1550790 0.88 GPR119 (0.44) GPR119KCNH2SCDCHRM4
SCHEMBL2335683 0.87 GPR119 (0.63) GPR119KCNH2SCDKDM1ATRPV4
SCHEMBL14237609 0.81 GPR119 (0.40) GPR119KDM1ATRPV4
SCHEMBL12391230 0.81 GPR119 (0.65) GPR119KCNH2SCDKDM1A
SCHEMBL2333652 0.81 GPR119 (0.65) GPR119KCNH2SCDKDM1ATRPV4

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-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP claimed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
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
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 1/4885KCNH2 929/4885SCD 4268/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885KCNH2 869/4885SCD 4263/4885

“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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