SCHEMBL9979077

SCHEMBL9979077

Nc1nc2ccccc2c2c1nc1n2[C@@H](CCCNC(=O)C2CC2)COC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
TLR7 Q9NYK1 9/20 0.38
TLR8 Q9NR97 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2513263 0.91 TLR7 (0.39) TLR7TLR8
SCHEMBL9979161 0.90 TLR7 (0.44) TLR7TLR8
SCHEMBL9979428 0.89 TLR7 (0.47) TLR7TLR8ALDH1A1
SCHEMBL2513545 0.87 TLR7 (0.40) MTNR1AMTNR1BTLR7TLR8
SCHEMBL9979057 0.87 TLR7 (0.39) TLR7TLR8
SCHEMBL11917315 0.87 TLR7 (0.40) MTNR1AMTNR1BTLR7TLR8
SCHEMBL9979143 0.87 TLR7 (0.38) TLR7TLR8ALDH1A1
SCHEMBL19917075 0.87 TLR7 (0.37) TLR7TLR8
Hydrochloric Acid SCHEMBL21074149 0.86 TLR7 (0.37) TLR7TLR8
SCHEMBL11917349 0.86 TLR7 (0.37) TLR7TLR8DRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US claimed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US claimed

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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 MTNR1A 757/4885MTNR1B 1432/4885TLR7 171/4885

“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.