SCHEMBL3970394

SCHEMBL3970394

CCCC(CCC)c1cc(C)nn2c(-c3cc4ccccc4o3)c(C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.42
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MKNK1 Q9BUB5 7/20 0.37
F2RL3 Q96RI0 4/20 0.37
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3970535 0.79 CRHR1 (0.55) CRHR1CRHR2TSHR
SCHEMBL3973051 0.77 CRHR1 (0.46) CRHR1CRHR2ALDH1A1MKNK1F2RL3
SCHEMBL3933919 0.73 CRHR1 (0.42) CRHR1CRHR2
SCHEMBL3923481 0.72 CRHR1 (0.40) CRHR1CRHR2TSHR
SCHEMBL3966331 0.72 CRHR1 (0.53) CRHR1CRHR2ALDH1A1MAPTTSHR
SCHEMBL3965673 0.71 CRHR1 (0.60) CRHR1CRHR2TSHRSMN1; SMN2KDM4E
SCHEMBL3965066 0.70 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL13763324 0.69 CRHR1 (0.50) CRHR1CRHR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3970397 0.69 F2RL3 (0.43) ALDH1A1MAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL3970579 0.68 CRHR1 (0.87) CRHR1CRHR2

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 3/4885ALDH1A1 1479/4885

“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.