SCHEMBL6512669

SCHEMBL6512669

CN(C)CCNC(=O)Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
LTA4H P09960 1/20 0.52
EGFR P00533 2/20 0.51
FFAR1 O14842 1/20 0.51
BCL2 P10415 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
CHRM4 P08173 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47

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
SCHEMBL7231853 0.91 LTB4R (0.53) ALOX5LTB4RLTB4R2FFAR1ADAMTS5
SCHEMBL5582719 0.90 MEN1 (0.56) ALOX5LTA4HEGFRBCL2LMNA
SCHEMBL7241154 0.85 FFAR1 (0.56) ALOX5LTA4HFFAR1ADAMTS5CHRM4
SCHEMBL7230615 0.85 LTB4R (0.47) ALOX5LTB4RLTB4R2FFAR1BCL2
SCHEMBL5583103 0.84 RAB9A (0.62) ALOX5LTA4HEGFRLMNAMEN1
SCHEMBL7240415 0.83 FFAR1 (0.51) ALOX5FFAR1ADAMTS5CHRM4ALDH1A1
Hydrochloric Acid SCHEMBL7233188 0.83 FFAR1 (0.53) ALOX5LTA4HFFAR1ADAMTS5CHRM4
SCHEMBL7240480 0.81 BCL2 (0.53) ALOX5LTA4HFFAR1BCL2ADAMTS5
SCHEMBL11570271 0.80 KCNH2 (0.69) ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL11570396 0.79 KCNH2 (0.67) ALDH1A1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US claimed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP claimed
US-20050228020-A1 Beta secretase inhibitors MIYAMOTO MASAOMI 2005-10-13 US disclosed
US-20040110743-A1 -Secretase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-10 US disclosed
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
EP-1283039-A1 -SECRETASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP disclosed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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-20050228020-A1 Beta secretase inhibitors BACE1, BACE2, APP ALOX5 2839/4885LTB4R 2001/4885LTB4R2 2808/4885
US-20040110743-A1 -Secretase inhibitors BACE1, BACE2, PSEN1 ALOX5 2490/4885LTB4R 2255/4885LTB4R2 3029/4885

“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.