SCHEMBL3920548

SCHEMBL3920548

CCC(CC)c1cc(C)nn2c(-c3sccc3C)c(C)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.60
CRHR2 Q13324 1/20 0.53
CYP2A6 P11509 8/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
SMPD3 Q9NY59 4/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2E1 P05181 1/20 0.30
PDE2A O00408 1/20 0.30
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE11A Q9HCR9 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
SCHEMBL3931906 0.88 CRHR1 (0.58) CRHR1CRHR2KDM4ESMPD3
SCHEMBL3920956 0.88 CRHR1 (0.51) CRHR1CRHR2
SCHEMBL3923164 0.87 CRHR1 (0.57) CRHR1CRHR2KDM4ESMPD3
SCHEMBL3923425 0.86 CRHR1 (0.56) CRHR1CRHR2SMPD3
SCHEMBL3920981 0.85 CRHR1 (0.48) CRHR1CRHR2CYP3A4CYP2C19CYP2D6
SCHEMBL3931980 0.84 CRHR1 (0.53) CRHR1CRHR2SMPD3
SCHEMBL3925298 0.83 CRHR1 (0.60) CRHR1CRHR2SMPD3
SCHEMBL3930547 0.83 CRHR1 (0.54) CRHR1CRHR2SMPD3
SCHEMBL3965673 0.83 CRHR1 (0.60) CRHR1CRHR2KDM4ESMPD3
SCHEMBL3924264 0.82 CRHR1 (0.58) CRHR1CRHR2SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006102194-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-28 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-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CRHR1 1/4885CRHR2 3/4885CYP2A6 1036/4885

“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.