SCHEMBL2542655

SCHEMBL2542655

N#Cc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ BCAT1 P54687 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38

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
Hydrochloric Acid SCHEMBL2544811 0.99 AR (0.44) ARNPC1MAPTHTTSMN1; SMN2
SCHEMBL2541877 0.84 BCAT1 (0.42) NPC1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL2538658 0.84 KDM1A (0.41) ARNPC1MAPTHTTSMN1; SMN2
SCHEMBL2543578 0.83 AR (0.36) ARNPC1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2546008 0.83 KDM1A (0.41) ARNPC1MAPTHTTSMN1; SMN2
SCHEMBL2546056 0.82 AR (0.44) ARNPC1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2546750 0.82 AR (0.36) ARNPC1MAPTHTTSMN1; SMN2
SCHEMBL1550949 0.82 GPR119 (0.51) NPC1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL2540921 0.82 GPR119 (0.43) ARNPC1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2539893 0.82 AR (0.44) ARNPC1MAPTHTTSMN1; SMN2

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 6 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
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
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 — — 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 (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 AR 478/4885NPC1 2457/4885MAPT 3761/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 AR 481/4885NPC1 2365/4885MAPT 3848/4885

“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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