SCHEMBL4882052

SCHEMBL4882052

C[C@H](Nc1ncnc2cc(C(=O)N3CCC(CN)C3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.36
EGFR P00533 5/20 0.36
ERBB2 P04626 2/20 0.35
CNR2 P34972 5/20 0.35
PRCP P42785 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
BTK Q06187 2/20 0.35
ADORA2B P29275 1/20 0.34

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
SCHEMBL4141398 1.00 CNR1 (0.36) CNR1EGFRERBB2CNR2PRCP
SCHEMBL4150711 1.00 CNR1 (0.36) CNR1EGFRERBB2CNR2PRCP
SCHEMBL8321511 0.96 TLR9 (0.36) CNR1EGFRERBB2PRCPTLR9
SCHEMBL4149366 0.96 TLR9 (0.36) CNR1EGFRERBB2PRCPTLR9
SCHEMBL4149373 0.96 TLR9 (0.36) CNR1EGFRERBB2PRCPTLR9
SCHEMBL4163812 0.91 PAK4 (0.38) CNR1EGFRERBB2CNR2ADORA2B
SCHEMBL14073985 0.91 PAK4 (0.38) CNR1EGFRERBB2CNR2ADORA2B
SCHEMBL4163815 0.91 PAK4 (0.38) CNR1EGFRERBB2CNR2ADORA2B
SCHEMBL13772343 0.91 PAK4 (0.38) CNR1EGFRERBB2CNR2ADORA2B
SCHEMBL8317609 0.90 TLR8 (0.37) CNR1EGFRTLR9TLR8TLR7

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-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 CNR1 469/4885EGFR 2301/4885ERBB2 2946/4885

“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.