SCHEMBL6826604

SCHEMBL6826604

CCCCOc1c(C2=NCCN2)sc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FTO Q9C0B1 1/20 0.43
▸ NISCH Q9Y2I1 13/20 0.40
▸ PTGIR P43119 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL11629725 0.72 NISCH (0.46) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL6824335 0.72 NISCH (0.46) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL6824580 0.70 NISCH (0.54) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL6824302 0.68 TSHR (0.46) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL7940185 0.67 CNR2 (0.50) CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7736170 0.67 NISCH (0.51) NISCHLMNA
SCHEMBL6824999 0.67 NISCH (0.61) CYP1A2NISCHKDM4EADRA2A
SCHEMBL12206989 0.66 MAPT (0.42) CYP1A2CYP2D6KDM4EALDH1A1HPGD
SCHEMBL6823673 0.66 NISCH (0.60) CYP1A2NISCHKDM4EADRA2A
SCHEMBL14066184 0.65 SMN1; SMN2 (0.51) KDM4EALDH1A1LMNAHPGD

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 12 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
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 CYP1A2 1285/4885CYP2D6 1580/4885TSHR 1681/4885

“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.

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