SCHEMBL3479391

SCHEMBL3479391

C[C@H]1C[C@]2(CCN1CC1CCC1)C(=O)N(Cc1cc(-c3ccc(Cl)c(Cl)c3)on1)C(=O)N2c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 8/20 0.33
BACE2 Q9Y5Z0 1/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL3479481 0.90 BACE1 (0.42) IL4I1BACE1MAPTTDP1
SCHEMBL3479613 0.88 BACE1 (0.35) CYP3A4IL4I1BACE1MCHR1
SCHEMBL3479635 0.86 MAPT (0.35) BACE1BACE2MAPT
Trifluoroacetic Acid SCHEMBL3479585 0.86 BACE1 (0.39) NPC1RAB9AHPGDALDH1A1NPSR1
SCHEMBL3479398 0.84 BACE1 (0.47) BACE1
SCHEMBL3479534 0.76 BACE1 (0.47) BACE1MAPT
SCHEMBL3479644 0.75 BACE1 (0.38) BACE1MAPTTDP1MCHR1
SCHEMBL3479639 0.75 BACE1 (0.50) IL4I1BACE1
SCHEMBL4255013 0.75 BACE1 (0.50) IL4I1BACE1
SCHEMBL3479600 0.73 BACE1 (0.37) CYP3A4BACE1MAPTMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US claimed
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 WO claimed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 WO disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 NPC1 419/4885RAB9A 1941/4885HPGD 825/4885

“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.