SCHEMBL6823738

SCHEMBL6823738

Cc1[nH]c2ccc(C(F)(F)C(F)(F)F)cc2c1C1=NCCN1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.43
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
KIF11 P52732 2/20 0.37
HTR2C P28335 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
HTR2A P28223 1/20 0.35
CHUK O15111 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Hydrochloric Acid SCHEMBL6824121 0.99 NISCH (0.42) NISCHHTR1DADRA1AKIF11HTR2C
SCHEMBL6824367 0.90 NISCH (0.51) NISCHHTR1DADRA1AKIF11CHUK
Hydrochloric Acid SCHEMBL7736130 0.89 NISCH (0.50) NISCHHTR1DADRA1AKIF11CHUK
Hydrochloric Acid SCHEMBL7735219 0.82 NISCH (0.56) NISCHHTR1DADRA1AKIF11HTR7
SCHEMBL6824373 0.80 NISCH (0.55) NISCHKIF11HTR2CHTR7HTR6
SCHEMBL6824236 0.80 NISCH (0.50) NISCHMAOAMAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL7736313 0.79 NISCH (0.54) NISCHKIF11HTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL7736302 0.79 NISCH (0.48) NISCHHTR1DADRA1AHTR7HTR6
Hydrochloric Acid SCHEMBL7736791 0.79 NISCH (0.49) NISCHMAOAMAOBMEN1KMT2A
SCHEMBL30661856 0.78 HTR6 (0.53) HTR2CHTR7HTR6HTR2A

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 8 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
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 US 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

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 277/4885HTR1D 3537/4885ADRA1A 828/4885

“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.