SCHEMBL4818208

SCHEMBL4818208

CCCCCc1cc(N)c2cc(N)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.48
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL4264863 0.89 MCHR1 (0.56) MCHR1TLR8TLR7ASIC3
SCHEMBL23044015 0.83 TLR8 (0.52) TLR8TLR7
SCHEMBL28521004 0.82 TLR8 (0.53) TLR8TLR7KCNH2
SCHEMBL28514975 0.82 TLR8 (0.53) TLR8TLR7KCNH2
SCHEMBL5358262 0.79 ALDH1A1 (0.42) MCHR1TLR8TLR7ASIC3
SCHEMBL28014894 0.78 NCF1 (0.53) MCHR1TLR8TLR7
SCHEMBL29846618 0.78 LMNA (0.50) TLR8KCNH2
SCHEMBL6199601 0.78 MCHR1 (0.63) MCHR1
SCHEMBL28187202 0.77 KCNH2 (0.50) TLR8KCNH2
SCHEMBL14960278 0.76 MEN1 (0.42) TLR8TLR7KCNH2

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-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 — — US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 — — US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 — — US disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 — — 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 (2 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885TLR8 3491/4885TLR7 2676/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G MCHR1 1443/4885TLR8 3779/4885TLR7 3730/4885

“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.

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