SCHEMBL120042

SCHEMBL120042

CCc1noc(N2CCC([C@H](C)CCOc3cnc(N4C[C@H](c5ccccc5F)[C@@H](N)C4)nc3)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 6/20 0.33
MCHR1 Q99705 4/20 0.33
KCNH2 Q12809 4/20 0.32
GPR119 Q8TDV5 4/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
DPP7 Q9UHL4 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GPR183 P32249 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL152371 0.92 GPR119 (0.35) DPP4MCHR1KCNH2GPR119DPP8
SCHEMBL148585 0.91 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8
SCHEMBL120073 0.91 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8
SCHEMBL120082 0.91 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8
SCHEMBL145895 0.91 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8
SCHEMBL122282 0.90 DPP4 (0.39) DPP4MCHR1KCNH2DPP8DPP9
SCHEMBL12064853 0.90 ALDH1A1 (0.34) ALDH1A1DPP4MCHR1KCNH2GPR119
SCHEMBL121167 0.87 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8
Hydrochloric Acid SCHEMBL146247 0.87 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8
Hydrochloric Acid SCHEMBL146246 0.87 GPR119 (0.41) DPP4MCHR1KCNH2GPR119DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 ALDH1A1 685/4885DPP4 407/4885MCHR1 517/4885

“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.