SCHEMBL3964552

SCHEMBL3964552

CCC(CC)c1cc(C)nn2c(-c3c(C)nc4c(C)cc(C)nn34)c(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.56
CRHR2 Q13324 1/20 0.52
TSPO P30536 6/20 0.34
SMPD3 Q9NY59 2/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 1/20 0.31
GPR4 P46093 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL3965673 0.94 CRHR1 (0.60) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3965066 0.89 CRHR1 (0.56) CRHR1CRHR2SMPD3
SCHEMBL3970535 0.87 CRHR1 (0.55) CRHR1CRHR2SMPD3
SCHEMBL3966236 0.86 CRHR1 (0.54) CRHR1CRHR2SMPD3ALDH1A1KDM4E
SCHEMBL3962986 0.86 CRHR1 (0.54) CRHR1CRHR2SMPD3
SCHEMBL3965092 0.85 CRHR1 (0.55) CRHR1CRHR2SMPD3SMN1; SMN2KDM4E
SCHEMBL3928361 0.84 CRHR1 (0.53) CRHR1CRHR2SMPD3
SCHEMBL3967699 0.84 CRHR1 (0.52) CRHR1CRHR2SMPD3
SCHEMBL3965847 0.83 CRHR1 (0.53) CRHR1CRHR2SMPD3ALDH1A1KDM4E
SCHEMBL3967917 0.82 CRHR1 (0.51) CRHR1CRHR2SMPD3ALDH1A1SMN1; 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 8 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-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
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
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 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 3/4885TSPO 1054/4885

“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.