SCHEMBL3965264

SCHEMBL3965264

CCC(CC)c1cc(C)nn2c(-c3sc4ccc(Cl)cc4c3C)c(C)nc12

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.78
CRHR2 Q13324 1/20 0.55
ROCK1 Q13464 8/20 0.42
NPY5R Q15761 1/20 0.34
HTR6 P50406 1/20 0.33
DPP4 P27487 2/20 0.33
AKR1B1 P15121 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 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
SCHEMBL3967558 0.90 CRHR1 (0.81) CRHR1CRHR2ROCK1
SCHEMBL3967502 0.88 CRHR1 (0.78) CRHR1CRHR2ROCK1
SCHEMBL3967632 0.88 CRHR1 (1.00) CRHR1CRHR2ROCK1MAPT
SCHEMBL3963101 0.88 CRHR1 (0.78) CRHR1CRHR2ROCK1MAPT
SCHEMBL3966582 0.86 CRHR1 (0.75) CRHR1CRHR2ROCK1MAPT
SCHEMBL3968166 0.86 CRHR1 (0.75) CRHR1CRHR2ROCK1
SCHEMBL3968176 0.84 CRHR1 (0.72) CRHR1CRHR2ROCK1
SCHEMBL3968274 0.81 CRHR1 (0.68) CRHR1CRHR2
SCHEMBL4690582 0.81 CRHR1 (0.53) CRHR1CRHR2ROCK1NPY5R
SCHEMBL3970579 0.81 CRHR1 (0.87) CRHR1CRHR2ROCK1

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 3/4885ROCK1 3488/4885

“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.