SCHEMBL14967652

SCHEMBL14967652

COc1cc(O)ccc1CC(=O)N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
PKM P14618 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
TTR P02766 1/20 0.43

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
SCHEMBL2238597 0.82 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL12987867 0.81 POLB (0.47) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL14970601 0.79 KDM4E (0.60) KMT2AMEN1SIGMAR1PKMALDH1A1
SCHEMBL19423896 0.79 HTT (0.60) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL12988093 0.78 KMT2A (0.51) KMT2AALDH1A1KDM4EGAAHTT
SCHEMBL14968299 0.78 KMT2A (0.48) KMT2AMEN1MAPT
SCHEMBL13195399 0.78 CHRM2 (0.42) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL5679866 0.78 KMT2A (0.74) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL1099347 0.77 CAMK2A (0.64) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL2236754 0.77 KMT2A (0.72) KMT2AMEN1SIGMAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
EP-2780337-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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 (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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR KMT2A 4278/4885MEN1 3858/4885SIGMAR1 882/4885

“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.