SCHEMBL3662061

SCHEMBL3662061

CCCN(Cc1ccccc1)C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.52
LIMK1 P53667 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
FOLH1 Q04609 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL2187349 0.89 HDAC6 (0.56) LMNAHDAC1HDAC6PKMLIMK1
SCHEMBL574486 0.89 LMNA (0.61) LMNAALDH1A1HDAC1HDAC6PKM
SCHEMBL2187595 0.88 CNR2 (0.59) LMNAHDAC1HDAC6PKMLIMK1
SCHEMBL28042133 0.86 CNR2 (0.61) LMNAHDAC1HDAC6PKMLIMK1
SCHEMBL2117209 0.86 LMNA (0.62) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL2186353 0.85 RCE1 (0.56) LMNAALDH1A1HDAC1HDAC6MEN1
SCHEMBL678725 0.85 L3MBTL1 (0.54) LMNAALDH1A1HDAC1HDAC6PKM
SCHEMBL3836681 0.85 LMNA (0.72) LMNAALDH1A1HDAC1HDAC6MEN1
SCHEMBL13317644 0.84
SCHEMBL1926269 0.84 HDAC1 (0.73) LMNAALDH1A1HDAC1HDAC6PKM

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-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
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US 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 LMNA 705/4885ALDH1A1 2461/4885HDAC1 881/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP LMNA 705/4885ALDH1A1 2461/4885HDAC1 881/4885

“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.