SCHEMBL5336445

SCHEMBL5336445

Cc1nc(N)c2nc(C(C)C3CC3)n(CCOCCNC(=O)N3CCOCC3)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4794208 0.89 HTT (0.37) HTTCHRM1DRD2ADRA1ADRD3
SCHEMBL4795296 0.86 CYP1A2 (0.31) KMT2A
SCHEMBL4792956 0.85 HTT (0.41) HTTCHRM1DRD2ADRA1ADRD3
SCHEMBL5338594 0.85 HTT (0.37) HTTCHRM1DRD2ADRA1ADRD3
SCHEMBL5342022 0.84
SCHEMBL4794610 0.84 HTT (0.41) HTTCHRM1DRD2ADRA1ADRD3
SCHEMBL4791974 0.83 MEN1 (0.34) ALDH1A1TSHRKMT2ASMN1; SMN2HSD17B10
SCHEMBL4793951 0.83 HTT (0.43) HTTCHRM1DRD2ADRA1ADRD3
SCHEMBL5336413 0.83
SCHEMBL5336452 0.82 HTT (0.40) HTTCHRM1DRD2ADRA1ADRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 HTT 4588/4885CHRM1 3901/4885DRD2 4115/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP HTT 4440/4885CHRM1 4791/4885DRD2 4084/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 HTT 4588/4885CHRM1 3901/4885DRD2 4115/4885

“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.