SCHEMBL3964426

SCHEMBL3964426

CCC(CC)c1cc(C)nn2c(-c3cc4ccc(Cl)cc4[nH]3)c(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.47
CRHR2 Q13324 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.38
RET P07949 1/20 0.36
ALOX15 P16050 3/20 0.34
HAVCR2 Q8TDQ0 2/20 0.33
DPP4 P27487 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3970480 0.89 CRHR1 (0.48) CRHR1CRHR2RETKDM4EALDH1A1
SCHEMBL4690130 0.80 CRHR1 (0.52) CRHR1CRHR2HAVCR2DPP4ADORA3
SCHEMBL3965102 0.78 CRHR1 (0.48) CRHR1CRHR2KDM4EALDH1A1HPGD
SCHEMBL3966751 0.78 CRHR1 (0.48) CRHR1CRHR2DPP4KDM4EALDH1A1
SCHEMBL3965673 0.78 CRHR1 (0.60) CRHR1CRHR2KDM4E
SCHEMBL3967448 0.76 CRHR1 (0.51) CRHR1CRHR2
SCHEMBL3966240 0.76 CRHR1 (0.48) CRHR1CRHR2DPP4KDM4EALDH1A1
SCHEMBL3972191 0.75 CRHR1 (0.47) CRHR1CRHR2DPP4
SCHEMBL3964509 0.75 CRHR1 (0.47) CRHR1CRHR2PTGDR2DPP4KDM4E
SCHEMBL3965264 0.74 CRHR1 (0.78) CRHR1CRHR2DPP4

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 3/4885PTGDR2 203/4885

“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.