SCHEMBL13614704

SCHEMBL13614704

CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)cc3C)c(C)nc12

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.70
CRHR2 Q13324 1/20 0.70
SMPD3 Q9NY59 3/20 0.40
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KHK P50053 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKDC P78527 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3925905 0.85 CRHR1 (0.84) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3923140 0.83 CRHR1 (0.80) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3931907 0.83 CRHR1 (0.80) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL2929597 0.83 CRHR1 (1.00) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3930606 0.83 CRHR1 (0.80) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3920562 0.82 CRHR1 (0.60) CRHR1CRHR2SMPD3
SCHEMBL3922497 0.82 CRHR1 (0.73) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3920422 0.82 CRHR1 (0.67) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3920550 0.81 CRHR1 (0.77) CRHR1CRHR2SMPD3NPC1RAB9A
SCHEMBL3933566 0.81 CRHR1 (0.77) CRHR1CRHR2SMPD3NPC1RAB9A

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 4 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-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

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 3/4885SMPD3 4435/4885

“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.