SCHEMBL3965003

SCHEMBL3965003

CCC(CC)c1cc(C)nn2c(-c3cc4ccc(F)cc4n3C)c(C)nc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.60
CRHR2 Q13324 1/20 0.43
SMPD3 Q9NY59 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PPARA Q07869 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
NPC1 O15118 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL3962744 0.92 CRHR1 (0.60) CRHR1CRHR2SMPD3PPARAKCNH2
SCHEMBL3966751 0.87 CRHR1 (0.48) CRHR1CRHR2KCNH2KDM4EMEN1
SCHEMBL13763324 0.86 CRHR1 (0.50) CRHR1CRHR2SMPD3KDM4EMEN1
SCHEMBL3962437 0.84 CRHR1 (0.59) CRHR1CRHR2SMPD3CYP11B1CYP11B2
SCHEMBL3962531 0.83 CRHR1 (0.49) CRHR1CRHR2SMPD3MEN1MAPT
SCHEMBL3968095 0.82 CRHR1 (0.59) CRHR1CRHR2SMPD3CYP11B1CYP11B2
SCHEMBL3965431 0.81 CRHR1 (0.53) CRHR1CRHR2SMPD3NPC1MAPT
SCHEMBL3966240 0.81 CRHR1 (0.48) CRHR1CRHR2KCNH2KDM4EMEN1
SCHEMBL3966546 0.80 CRHR1 (0.52) CRHR1CRHR2SMPD3PDE10A
SCHEMBL3965673 0.79 CRHR1 (0.60) CRHR1CRHR2SMPD3KDM4ESMN1; 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 6 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-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 3/4885SMPD3 4456/4885

“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.