SCHEMBL4597586

SCHEMBL4597586

N#CC1(c2ccc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
CYP1A2 P05177 2/20 0.43
MAP4K4 O95819 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KIF11 P52732 1/20 0.39
KDM1A O60341 3/20 0.38
SLC6A3 Q01959 3/20 0.37
TDP2 O95551 1/20 0.36
SCD O00767 1/20 0.36
FPR2 P25090 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL626219 0.85 SLC6A3 (0.45) CYP1A2KIF11KDM1ASLC6A3SCD
SCHEMBL3158074 0.81 SLC6A3 (0.49) CYP1A2KIF11KDM1ASLC6A3SCD
SCHEMBL3516067 0.80 SLC6A3 (0.51) CYP1A2KDM1ASLC6A3SCDFPR2
SCHEMBL31441151 0.80 SLC6A3 (0.51) CYP1A2KDM1ASLC6A3SCDFPR2
SCHEMBL31441140 0.80 SLC6A3 (0.51) CYP1A2KDM1ASLC6A3SCDFPR2
SCHEMBL3719123 0.78 CYP1A2 (0.47) CYP1A2KIF11KDM1ASLC6A3SCD
SCHEMBL625836 0.76 SLC6A4 (0.50) KDM1ASLC6A3SLC6A4SLC6A2
SCHEMBL4597258 0.75 APP (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL624988 0.75 CYP1A2 (0.36) CYP1A2SLC6A3FPR2SLC6A4SLC6A2
SCHEMBL624924 0.74 CYP1A2 (0.39) CYP1A2SLC6A3SLC6A4ALDH1A1SMN1; SMN2

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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP disclosed
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 APP 5/4885CYP1A2 97/4885MAP4K4 2525/4885

“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.