SCHEMBL1638524

SCHEMBL1638524

CCCN(CCC)Cc1cccc(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
MEP1B Q16820 6/20 0.55
SLC7A5 Q01650 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
NR3C1 P04150 1/20 0.46
HIF1A Q16665 1/20 0.46
HTT P42858 1/20 0.46
MEP1A Q16819 2/20 0.46

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
SCHEMBL3350068 0.95 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL10106423 0.89 LOXL2 (0.64) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL22145186 0.86 LOXL2 (0.54) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL16706893 0.85 LOXL2 (0.62) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL1638440 0.84 HDAC1 (0.52) LOXL2CYP4F2CYP4A11MEP1BALDH1A1
SCHEMBL1638230 0.83 LOXL2 (0.45) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL1456846 0.83 MEP1B (0.60) MEP1BSMN1; SMN2TSHRHSD17B10MRGPRX4
SCHEMBL1638227 0.82 LOXL2 (0.44) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL165622 0.81 LOXL2 (0.66) LOXL2CYP4F2CYP4A11MEP1BSLC7A5
SCHEMBL1206463 0.81 HRH3 (0.55) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E

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 LOXL2 4133/4885CYP4F2 209/4885CYP4A11 353/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 LOXL2 3824/4885CYP4F2 324/4885CYP4A11 430/4885

“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.