SCHEMBL14970601

SCHEMBL14970601

COc1cc(OCc2ccccc2)ccc1CC(=O)N1CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
APP P05067 1/20 0.47
GPR183 P32249 1/20 0.47

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
SCHEMBL16210758 0.97 KDM4E (0.57) KDM4ETDP1ALDH1A1GAAL3MBTL1
SCHEMBL12988531 0.86 GPR183 (0.58) KDM4ETDP1ALDH1A1GAASMN1; SMN2
SCHEMBL14970460 0.84 S1PR1 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL15486461 0.83 GPR183 (0.55) KDM4ETDP1ALDH1A1GAASMN1; SMN2
SCHEMBL1097150 0.83 L3MBTL1 (0.61) TDP1L3MBTL1
SCHEMBL9785840 0.81 ALDH1A1 (0.59) KDM4ETDP1ALDH1A1GAASMN1; SMN2
SCHEMBL12987676 0.81 MAOB (0.54) ALDH1A1GAASMN1; SMN2LMNANPC1
SCHEMBL15486663 0.81 S1PR1 (0.54) SMN1; SMN2KMT2AMEN1LMNANPC1
SCHEMBL2173579 0.81 L3MBTL1 (0.58) KDM4ETDP1ALDH1A1GAAL3MBTL1
SCHEMBL2238597 0.80 ALDH1A1 (0.60) KDM4ETDP1ALDH1A1GAASMN1; 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 9 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
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 KDM4E 3904/4885TDP1 4646/4885ALDH1A1 1827/4885

“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.