SCHEMBL3966751

SCHEMBL3966751

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.48
CRHR2 Q13324 1/20 0.47
DPP4 P27487 2/20 0.34
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3966240 0.92 CRHR1 (0.48) CRHR1CRHR2DPP4KCNH2KDM4E
SCHEMBL3965003 0.87 CRHR1 (0.60) CRHR1CRHR2KCNH2KDM4EALDH1A1
SCHEMBL13763324 0.86 CRHR1 (0.50) CRHR1CRHR2KDM4EALDH1A1HPGD
SCHEMBL3972191 0.84 CRHR1 (0.47) CRHR1CRHR2DPP4KCNH2MEN1
SCHEMBL3962531 0.83 CRHR1 (0.49) CRHR1CRHR2MEN1MAPTKMT2A
SCHEMBL3964509 0.82 CRHR1 (0.47) CRHR1CRHR2DPP4KCNH2KDM4E
SCHEMBL3969468 0.81 CRHR1 (0.48) CRHR1CRHR2KDM4EALDH1A1HPGD
SCHEMBL3962744 0.81 CRHR1 (0.60) CRHR1CRHR2KCNH2KDM4EALDH1A1
SCHEMBL3965673 0.79 CRHR1 (0.60) CRHR1CRHR2KDM4E
SCHEMBL3964426 0.78 CRHR1 (0.47) CRHR1CRHR2DPP4KDM4EALDH1A1

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 3/4885DPP4 712/4885

“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.