SCHEMBL2175443

SCHEMBL2175443

COc1ccc2c(c1)C(=O)CC(C)(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
METAP1 P53582 2/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
PSMD14 O00487 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALPL P05186 1/20 0.45
KLK7 P49862 1/20 0.45
TP53 P04637 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRNP P04156 1/20 0.44

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
SCHEMBL227337 0.87 PRNP (0.50) METAP1ALDH1A1MAPTMEN1PSMD14
SCHEMBL8898116 0.78 DRD2 (0.46) PDE3BPDE3AMETAP1KMT2A
SCHEMBL29447984 0.78 DRD2 (0.46) PDE3BPDE3AMETAP1KMT2A
SCHEMBL30176810 0.78 METAP1 (0.53) PDE3BPDE3AMETAP1ACHEALDH1A1
SCHEMBL2351080 0.78 METAP1 (0.53) PDE3BPDE3AMETAP1ACHEALDH1A1
SCHEMBL8597253 0.78 PDE3B (0.47) PDE3BPDE3AMETAP1ACHEALDH1A1
SCHEMBL23376900 0.76 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2AALPL
SCHEMBL2175942 0.76 PBRM1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL427867 0.76 ALDH1A1 (0.44) METAP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29392039 0.75 MAOB (0.54) METAP1ACHEALDH1A1KDM4ELMNA

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-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PDE3B 427/4885PDE3A 672/4885METAP1 388/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PDE3B 427/4885PDE3A 672/4885METAP1 388/4885

“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.