SCHEMBL4529809

SCHEMBL4529809

Cc1cc(N2CCOCC2)c(NC(=O)CN2CCN(CCSc3nc4cccc(C(F)(F)F)c4o3)CC2)c(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 14/20 0.49
LMNA P02545 2/20 0.42
CETP P11597 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4513155 0.94 SOAT1 (0.50) SOAT1CETPNPSR1MAPTALDH1A1
SCHEMBL4507782 0.86 SOAT1 (0.65) SOAT1LMNANPSR1MAPTMEN1
SCHEMBL14601907 0.84 SOAT1 (0.56) SOAT1CETPMAPTALDH1A1MAPK1
SCHEMBL301705 0.82 SOAT1 (0.54) SOAT1ALDH1A1MAPK1
SCHEMBL4516627 0.81 SOAT1 (0.74) SOAT1CETPMAPTALDH1A1MAPK1
SCHEMBL6283739 0.81 SOAT1 (0.60) SOAT1CETPMAPTALDH1A1MAPK1
SCHEMBL5623843 0.81 SOAT1 (0.73) SOAT1
SCHEMBL6282761 0.80 SOAT1 (0.65) SOAT1
SCHEMBL4530498 0.80 SOAT1 (0.67) SOAT1NPSR1ALDH1A1RAB9A
SCHEMBL4526617 0.80 SOAT1 (0.67) SOAT1LMNANPSR1MAPTMEN1

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
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 US 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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 SOAT1 1314/4885LMNA 4821/4885CETP 2440/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT SOAT1 1023/4885LMNA 4773/4885CETP 3068/4885

“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.