SCHEMBL1638263

SCHEMBL1638263

CCCN(CCC)CCCCN(C)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IL18 Q14116 1/20 0.43
MMP2 P08253 1/20 0.43
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ICMT O60725 2/20 0.41
ALB P02768 2/20 0.41
F2R P25116 1/20 0.40

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
SCHEMBL1636581 0.81 CNR1 (0.52) RORCPOLBLMNAMAPTSAE1
SCHEMBL1638316 0.78 NPC1 (0.54) RORCLMNAMAPTKDM4EMEN1
SCHEMBL4767570 0.75 TSHR (0.59) POLBLMNAMAPTSAE1UBA2
SCHEMBL13952345 0.73 ICMT (0.58) MAPTMEN1KMT2AHTTICMT
SCHEMBL13811051 0.72 ICMT (0.57) LMNAMAPTKDM4EMAPK1RAB9A
SCHEMBL9725009 0.72 TSHR (0.60) POLBLMNAMAPTMEN1PKM
SCHEMBL25226015 0.72 ICMT (0.61) MAPTMEN1KMT2AHTTICMT
SCHEMBL10944566 0.71 HTT (0.56) MAPTMEN1KMT2AHTTICMT
SCHEMBL1638319 0.71 MGLL (0.48) RORCKDM4ERAB9A
SCHEMBL13952224 0.70 MTOR (0.58) MAPTKDM4EMEN1RAB9AKMT2A

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 RORC 206/4885POLB 2350/4885LMNA 4136/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 RORC 118/4885POLB 2259/4885LMNA 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.