SCHEMBL3479332

SCHEMBL3479332

CCC(C)Oc1cccc(CN2CCC(=O)CC2C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
BACE1 P56817 5/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 1/20 0.38
POLB P06746 1/20 0.37
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL756339 0.90 HCRTR1 (0.48) TACR1BACE1HCRTR1HCRTR2MEN1
SCHEMBL760123 0.79 TACR1 (0.39) TACR1MEN1KMT2A
SCHEMBL755504 0.75 MAPT (0.45)
SCHEMBL22873345 0.75 MAPT (0.45)
SCHEMBL755526 0.75 HCRTR1 (0.43) TACR1BACE1HCRTR1HCRTR2MEN1
SCHEMBL2433689 0.72 BACE1 (0.59) BACE1
SCHEMBL25352470 0.71 HRH2 (0.51) TACR1
SCHEMBL3479524 0.70 TACR1 (0.53) TACR1HCRTR1HCRTR2ALDH1A1P2RX3
SCHEMBL2430097 0.69 BACE1 (0.55) BACE1
SCHEMBL12327116 0.69 MAPK1 (0.47) ALDH1A1TSHRPOLBKDM4E

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 3 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 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

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 TACR1 114/4885BACE1 1/4885HCRTR1 1747/4885

“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.