SCHEMBL1638182

SCHEMBL1638182

CCCN(CCC)CCCCN(CC(=O)OCC)Cc1ccc(C(N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.35
LTA4H P09960 1/20 0.34
NR1D1 P20393 4/20 0.33
DRD2 P14416 1/20 0.33
NR1H3 Q13133 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1638618 0.85 KMT2A (0.31)
SCHEMBL1638183 0.80 DRD2 (0.39) DRD2
SCHEMBL1638251 0.80 DRD2 (0.40) LTA4HDRD2MAPT
SCHEMBL2204055 0.76 RORC (0.47) LTA4H
SCHEMBL7249558 0.74 CYP4F2 (0.55)
SCHEMBL12509869 0.72 LTA4H (0.36) PPARALTA4HDRD2
SCHEMBL4847536 0.72 RORC (0.50) LTA4HTP53
SCHEMBL1636560 0.72 CXCR4 (0.55) PPARALTA4HDRD2
SCHEMBL12509872 0.71 LMNA (0.41) MAPT
SCHEMBL27590289 0.70 KDM4E (0.41) MAPT

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 PPARA 2864/4885LTA4H 4574/4885NR1D1 11/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 PPARA 2269/4885LTA4H 4459/4885NR1D1 12/4885

“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.