SCHEMBL2542089

SCHEMBL2542089

N#Cc1nn(-c2ccc(Br)c(F)c2)c(=O)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.34
▸ GPR6 P46095 8/20 0.34
▸ SCD O00767 5/20 0.34
▸ BCAT1 P54687 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ KDM1A O60341 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
SCHEMBL1550309 0.90 GPR119 (0.43) GPR119KDM1A
SCHEMBL2536248 0.88 GPR119 (0.44) GPR119
SCHEMBL14237635 0.86 NPC1 (0.33) GPR6NPC1ALDH1A1LMNAMAPT
SCHEMBL2543578 0.85 AR (0.36) BCAT1IKBKBNPC1ALDH1A1LMNA
SCHEMBL2546607 0.84 KMT2A (0.36) SCDIKBKBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2546750 0.84 AR (0.36) BCAT1IKBKBNPC1ALDH1A1LMNA
SCHEMBL2541877 0.84 BCAT1 (0.42) SCDBCAT1NPC1ALDH1A1LMNA
SCHEMBL2545667 0.84 GPR6 (0.38) GPR119GPR6SCDEGFR
SCHEMBL2536196 0.82 GPR119 (0.51) GPR119GPR6SCD
SCHEMBL14693053 0.82 GPR119 (0.43) GPR119GPR6SCD

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-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 1/4885GPR6 7/4885SCD 4268/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885GPR6 7/4885SCD 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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