SCHEMBL1638607

SCHEMBL1638607

CCCN(CCC)CCCc1nc2ccc(CN)cc2n1CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
DYRK1A Q13627 1/20 0.35
TLR8 Q9NR97 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 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
SCHEMBL1206017 0.97 AGTR1 (0.39) AGTR1AGTR2LMNAMAPTTLR7
SCHEMBL12894290 0.85 MAPT (0.48) AGTR1AGTR2LMNAMAPTTLR7
SCHEMBL1206862 0.85 AGTR1 (0.41) AGTR1AGTR2LMNAMAPTHDAC3
SCHEMBL1637212 0.85 MAPT (0.45) AGTR1AGTR2MAPTTLR7TLR8
SCHEMBL1638650 0.81 ACSS2 (0.42) LMNAMAPTTLR7TLR8HDAC3
SCHEMBL15509992 0.80 TLR8 (0.46) LMNAMAPTTLR7TLR8HDAC3
SCHEMBL1638239 0.80 AGTR1 (0.34) AGTR1AGTR2MAPTTLR7TLR8
SCHEMBL1637603 0.79 CXCR4 (0.41) AGTR1AGTR2LMNAMAPT
SCHEMBL1637605 0.78 CXCR4 (0.42) AGTR1AGTR2LMNAMAPTHDAC3
SCHEMBL1205005 0.78 TSHR (0.42) AGTR1AGTR2

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 1282/4885LMNA 4136/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 AGTR1 1110/4885AGTR2 1171/4885LMNA 3768/4885

“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.