SCHEMBL6044320

SCHEMBL6044320

CCCCN1CCCc2c(-c3ncco3)cc(C(=O)NCCc3cc(F)cc(F)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BACE1 P56817 1/20 0.33
FSHR P23945 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMYD2 Q9NRG4 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL6044947 0.86 BACE1 (0.36) BACE1GPR52
SCHEMBL6044403 0.86 LMNA (0.37) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL6043692 0.86 MAPT (0.36) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL6044247 0.85 MAPT (0.41) SMN1; SMN2MAPTHTTALDH1A1LMNA
SCHEMBL6044023 0.79 BACE1 (0.38) BACE1
SCHEMBL6044138 0.79 BACE1 (0.37) BACE1
SCHEMBL6043732 0.79 BACE1 (0.37) BACE1
SCHEMBL6043610 0.78 BACE1 (0.37) BACE1
SCHEMBL6044737 0.76 BACE1 (0.35) BACE1
SCHEMBL6043930 0.76 BACE1 (0.38) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US claimed
US-20060100196-A1 Substituted amines for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-05-11 US disclosed
EP-1430032-A2 SUBSTITUTED AMIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Elan Pharmaceuticals, Inc. (US) 2004-06-23 EP disclosed
WO-2003027068-A2 SUBSTITUTED AMINES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2003-04-03 WO 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 (1 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-20060100196-A1 Substituted amines for the treatment of alzheimer's disease BACE1, APP, BACE2 SMN1; SMN2 513/4885MAPT 27/4885HTT 260/4885

“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.