SCHEMBL5353274

SCHEMBL5353274

CCCN(CCC)C(=O)c1cc(C(N)=O)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR1 P21453 2/20 0.37
P2RX1 P51575 2/20 0.37
P2RX4 Q99571 2/20 0.37
S1PR3 Q99500 1/20 0.36
MLYCD O95822 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
HPGD P15428 1/20 0.36
P2RX3 P56373 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
SPR P35270 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL9730987 0.79 MAOA (0.43) ALDH1A1MAPTL3MBTL1CA12CA1
SCHEMBL3807628 0.77 ALDH1A1 (0.49) TP53ALDH1A1MAPTL3MBTL1MLYCD
SCHEMBL6480081 0.77 ALDH1A1 (0.59) TP53ALDH1A1MAPTL3MBTL1MLYCD
SCHEMBL9731204 0.77 ALDH1A1 (0.44) TP53ALDH1A1MAPTL3MBTL1S1PR1
SCHEMBL642254 0.76 LMNA (0.52) L3MBTL1LMNA
Hydrochloric Acid SCHEMBL30527997 0.74 LMNA (0.50) L3MBTL1LMNA
SCHEMBL9730983 0.74 HCAR2 (0.41) ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9731029 0.73 SCN9A (0.41) ALDH1A1MAPTL3MBTL1S1PR1MLYCD
SCHEMBL9731409 0.73 NTRK2 (0.45) ALDH1A1MAPTL3MBTL1
SCHEMBL9731199 0.72 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TP53 4138/4885ALDH1A1 391/4885MAPT 6/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT TP53 3792/4885ALDH1A1 524/4885MAPT 6/4885

“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.