SCHEMBL3964600

SCHEMBL3964600

CCC(CC)c1cc(C)cn2cc(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.34
CRHR2 Q13324 1/20 0.34
GRM5 P41594 4/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25096393 0.78 GRM5 (0.34) GRM5
SCHEMBL3924161 0.73 CRHR1 (0.41) CRHR1CRHR2ALDH1A1SMN1; SMN2
SCHEMBL12920733 0.72 GRM5 (0.39) GRM5ALDH1A1SMN1; SMN2
SCHEMBL6355229 0.69 GRM5 (0.37) GRM5ALDH1A1SMN1; SMN2
SCHEMBL24163731 0.69 GRM5 (0.42) GRM5ALDH1A1SMN1; SMN2
SCHEMBL23571405 0.69 GRM5 (0.37) GRM5ALDH1A1SMN1; SMN2
SCHEMBL21078708 0.69 GRM5 (0.35) GRM5
SCHEMBL3962872 0.67 LMNA (0.38) CRHR1CRHR2ALDH1A1
SCHEMBL25096400 0.67 KDM4E (0.38) GRM5ALDH1A1SMN1; SMN2
SCHEMBL23571593 0.67 KDM4E (0.36) GRM5ALDH1A1SMN1; SMN2

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 CRHR1 1/4885CRHR2 3/4885GRM5 30/4885

“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.