SCHEMBL1638239

SCHEMBL1638239

CCCN(CCC)CCCCc1nc2ccc(CN)cc2n1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.34
AGTR2 P50052 4/20 0.34
TLR7 Q9NYK1 1/20 0.33
MAPT P10636 1/20 0.33
TLR8 Q9NR97 3/20 0.32
POLB P06746 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL1637212 0.85 MAPT (0.45) AGTR1AGTR2TLR7MAPTTLR8
SCHEMBL1206017 0.83 AGTR1 (0.39) AGTR1AGTR2TLR7MAPTTLR8
SCHEMBL1638689 0.82 TLR7 (0.38) TLR7TLR8POLB
SCHEMBL1638607 0.80 AGTR1 (0.39) AGTR1AGTR2TLR7MAPTTLR8
SCHEMBL15509961 0.78 MAPT (0.33) AGTR1AGTR2MAPTPOLB
SCHEMBL1637922 0.76 CXCR4 (0.40)
SCHEMBL1637920 0.74 CXCR4 (0.63)
SCHEMBL1638170 0.74 MAPT (0.40) AGTR1AGTR2TLR7MAPT
SCHEMBL12762323 0.73 CXCR4 (0.44)
SCHEMBL1206862 0.72 AGTR1 (0.41) AGTR1AGTR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 AGTR1 1382/4885AGTR2 1282/4885TLR7 761/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 AGTR1 1110/4885AGTR2 1171/4885TLR7 778/4885

“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.