SCHEMBL3408517

SCHEMBL3408517

CN(C)C(=O)C=CC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
HSD11B1 P28845 9/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC4 P56524 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL4097907 0.77 OPRM1 (0.45) RXRARXRBRXRGSLC6A2SLC6A4
SCHEMBL14944336 0.72 HDAC4 (0.43) MAPTHSD11B1RXRARXRBRXRG
SCHEMBL3413340 0.69 CYP1A2 (0.62) MAPTCYP1A2NPC1ALDH1A1LMNA
SCHEMBL7198147 0.69 MAOA (0.39) HSD11B1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL23270188 0.68 DRD2 (0.38) HSD11B1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL10726441 0.68 SLC6A4 (0.35) TSHRSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8674569 0.68 SLC6A4 (0.35) TSHRSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23270189 0.68 DRD2 (0.38) HSD11B1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL20876286 0.68 SLC6A4 (0.40) TSHRHSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL695920 0.68 HSD17B10 (0.41) HSD11B1SLC6A2SLC6A4SLC6A3HDAC4

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-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MAPT 23/4885CYP1A2 4120/4885HPGD 174/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MAPT 24/4885CYP1A2 4006/4885HPGD 186/4885

“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.