SCHEMBL16211006

SCHEMBL16211006

O=C(Cc1ccc(Cl)nc1)N1CCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PANK3 Q9H999 3/20 0.52
ECE2 P0DPD6 1/20 0.51
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNH2 Q12809 2/20 0.47
GPR119 Q8TDV5 2/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3613404 0.97 L3MBTL1 (0.56) KMT2AMEN1ATML3MBTL1PANK3
SCHEMBL12436381 0.81 ECE2 (0.51) KMT2AMEN1PANK3ECE2NPC1
SCHEMBL5080004 0.80 PANK3 (0.49) KMT2AMEN1ATMPANK3SMN1; SMN2
SCHEMBL14084729 0.78 GABRP (0.58) KMT2AMEN1PANK3ECE2NPC1
SCHEMBL8163504 0.76 PANK3 (0.48) KMT2AMEN1ATML3MBTL1PANK3
SCHEMBL7430480 0.75 HPGD (0.67) KMT2AMEN1ATMNPC1HPGD
SCHEMBL256024 0.74 GABRP (0.61) KMT2AMEN1ATML3MBTL1NPC1
SCHEMBL30154481 0.74 GABRP (0.61) KMT2AMEN1ATML3MBTL1NPC1
SCHEMBL9528958 0.73 HPGD (0.70) KMT2AMEN1ATMNPC1HPGD
SCHEMBL13195578 0.73 SMN1; SMN2 (0.64) ECE2NPC1HPGDSMN1; SMN2ALDH1A1

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 7 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
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
US-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Marck Sharp & Dohme Corp. (US) 2015-10-01 US disclosed
EP-2900242-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP 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

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-20150274664-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GCGR, GPR139 KMT2A 4493/4885MEN1 4127/4885ATM 3919/4885
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR KMT2A 4278/4885MEN1 3858/4885ATM 4310/4885

“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.