SCHEMBL3923339

SCHEMBL3923339

CCC(CC)c1cc(C)nn2c(-c3sc(-c4cccnc4)nc3C)c(C)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.54
CRHR2 Q13324 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3932174 0.90 CRHR1 (0.57) CRHR1CRHR2CYP3A4CYP1A2LMNA
SCHEMBL3923295 0.89 CRHR1 (0.56) CRHR1CRHR2CYP1A2LMNACYP2C19
SCHEMBL3923319 0.87 CRHR1 (0.60) CRHR1CRHR2TRPM8CYP3A4LMNA
SCHEMBL3923492 0.86 CRHR1 (0.54) CRHR1CRHR2TRPM8CYP3A4LMNA
SCHEMBL3924154 0.85 CRHR1 (0.63) CRHR1CRHR2TRPM8LMNAMAPT
SCHEMBL13904165 0.85 CRHR1 (0.52) CRHR1CRHR2TRPM8CYP3A4CYP1A2
SCHEMBL3920559 0.85 CRHR1 (0.52) CRHR1CRHR2ALDH1A1KDM4ECYP2A6
SCHEMBL3928328 0.84 CRHR1 (0.66) CRHR1CRHR2TRPM8LMNAALDH1A1
SCHEMBL3925219 0.83 CRHR1 (0.53) CRHR1CRHR2CYP3A4CYP2C19CYP2C9
SCHEMBL3933602 0.83 CRHR1 (0.51) CRHR1CRHR2ALDH1A1KDM4ENPC1

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 9 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
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 3/4885TRPM8 1467/4885

“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.