SCHEMBL1637181

SCHEMBL1637181

CCCN(CCC)CCCCc1nc2ccc(C(=O)OC)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ACSS2 Q9NR19 1/20 0.41
TLR7 Q9NYK1 9/20 0.41
TLR8 Q9NR97 6/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 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
SCHEMBL1206469 0.90 ACSS2 (0.45) KDM4EACSS2TLR7TLR8
SCHEMBL25089560 0.85 CNR2 (0.49) KDM4EACSS2TLR7NPC1RAB9A
SCHEMBL1637611 0.83 AGTR1 (0.53) ACSS2TLR7
SCHEMBL1638544 0.83 MAPT (0.54) KDM4EACSS2TLR7TLR8
SCHEMBL1638170 0.79 MAPT (0.40) KDM4ETLR7NPC1RAB9ASMN1; SMN2
SCHEMBL15510198 0.77 AGTR1 (0.51) ALDH1A1ACSS2
SCHEMBL30676114 0.77 ACSS2 (0.46) KDM4ELMNAACSS2NPC1RAB9A
SCHEMBL20266433 0.77 ACSS2 (0.46) KDM4ELMNAACSS2NPC1RAB9A
SCHEMBL1637212 0.77 MAPT (0.45) TLR7TLR8NPC1RAB9ASMN1; SMN2
SCHEMBL1206622 0.75 MAPT (0.56) KDM4EALDH1A1LMNANPC1RAB9A

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 KDM4E 2406/4885ALDH1A1 2045/4885LMNA 4136/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 KDM4E 2871/4885ALDH1A1 1901/4885LMNA 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.