SCHEMBL3920550

SCHEMBL3920550

CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)nc3OC)c(C)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.77
CRHR2 Q13324 1/20 0.77
SMPD3 Q9NY59 5/20 0.44
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 1/20 0.32
PDE8A O60658 1/20 0.32
PDE5A O76074 1/20 0.32
PDE9A O76083 1/20 0.32
PDE6A P16499 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32

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
SCHEMBL3925905 0.90 CRHR1 (0.84) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL2929597 0.87 CRHR1 (1.00) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3931907 0.87 CRHR1 (0.80) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3930606 0.87 CRHR1 (0.80) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3923140 0.87 CRHR1 (0.80) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3933566 0.85 CRHR1 (0.77) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3923515 0.85 CRHR1 (0.76) CRHR1CRHR2SMPD3MEN1KMT2A
SCHEMBL3931706 0.83 CRHR1 (0.73) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3922497 0.83 CRHR1 (0.73) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL13614704 0.81 CRHR1 (0.70) CRHR1CRHR2SMPD3NPC1RAB9A

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 3/4885SMPD3 4435/4885

“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.