SCHEMBL3966479

SCHEMBL3966479

Cc1sc2c(C(C)(C)O)cccc2c1Br

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CHRNA7 P36544 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL3962703 0.86 CA2 (0.41) CA2GABRA1GABRB2
SCHEMBL10432656 0.74 PSMB8 (0.36) GABRA1GABRB2GPR35
SCHEMBL9271033 0.71 CA2 (0.44) CA2GABRA1GABRB2
SCHEMBL3962564 0.70 PDE10A (0.41) GPR35
SCHEMBL3964352 0.70 EDNRA (0.30) GPR35
SCHEMBL3962976 0.70 FAAH (0.34) CA2GABRA1GABRB2GPR35
SCHEMBL3966265 0.70 FAAH (0.34) CA2GABRA1GABRB2GPR35
SCHEMBL3966464 0.70 FAAH (0.34) CA2GABRA1GABRB2GPR35
SCHEMBL4689929 0.69 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL548252 0.69 CA2 (0.46) CA2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CA2 2469/4885GABRA1 184/4885GABRB2 316/4885

“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.