SCHEMBL6826510

SCHEMBL6826510

COCCOc1c(C2=NCCN2)cc2cc(-c3cccc(OC)c3)ccc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 5/20 0.52
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CD274 Q9NZQ7 10/20 0.41
PDCD1LG2 Q9BQ51 8/20 0.41
KDM4E B2RXH2 1/20 0.39
PDCD1 Q15116 2/20 0.39
HTR1B P28222 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL6820993 0.88 LMNA (0.42) NISCHCD274PDCD1LG2
SCHEMBL6820859 0.87 NISCH (0.42) NISCHMAOAMAOBCD274PDCD1LG2
SCHEMBL6824124 0.83 NISCH (0.45) NISCHCD274PDCD1LG2PDCD1
SCHEMBL6824657 0.83 NISCH (0.36) NISCHCD274PDCD1LG2PDCD1
SCHEMBL6826683 0.81 NISCH (0.36) NISCHCD274PDCD1LG2PDCD1
SCHEMBL6825218 0.81 KCNH2 (0.43) NISCHCD274PDCD1LG2PDCD1
SCHEMBL6824732 0.81 NISCH (0.54) NISCHMAOAMAOBCD274PDCD1LG2
Hydrochloric Acid SCHEMBL7738758 0.81 KCNH2 (0.43) NISCHCD274PDCD1LG2PDCD1
Hydrochloric Acid SCHEMBL7727916 0.76 MAOA (0.43) NISCHMAOAMAOBCD274PDCD1LG2
SCHEMBL6820917 0.75 NISCH (0.52) NISCHMAOAMAOBCD274PDCD1LG2

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
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US claimed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP claimed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP claimed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO claimed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP claimed
US-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 EP 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R NISCH 277/4885MAOA 3888/4885MAOB 3608/4885

“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.