SCHEMBL15134809

SCHEMBL15134809

Cc1cccc(OCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.76
RECQL P46063 1/20 0.73
ALDH1A1 P00352 5/20 0.70
LMNA P02545 1/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
MAPK1 P28482 1/20 0.65
TDP1 Q9NUW8 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
KDM4E B2RXH2 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
CBX7 O95931 1/20 0.63
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL10244353 0.85 RECQL (0.68) GAARECQLALDH1A1LMNAKMT2A
SCHEMBL19231621 0.85 RECQL (0.68) GAARECQLALDH1A1LMNAKMT2A
SCHEMBL15134821 0.85 GAA (0.74) GAARECQLALDH1A1KMT2AMEN1
SCHEMBL12409096 0.85 KDM4E (0.78) RECQLALDH1A1LMNAPOLBCYP2D6
SCHEMBL654289 0.85 RECQL (0.71) GAARECQLALDH1A1LMNAKMT2A
SCHEMBL11932391 0.84 RECQL (0.67) GAARECQLALDH1A1LMNAKMT2A
SCHEMBL14578666 0.84 L3MBTL1 (0.89) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL13462661 0.84 GAA (0.72) GAARECQLALDH1A1LMNAKMT2A
SCHEMBL528962 0.83 GAA (0.70) GAARECQLALDH1A1LMNAKMT2A
SCHEMBL13439308 0.83 GAA (0.70) GAARECQLALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8933077-B2 Glucokinase activators ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 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 (4 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 GAA 3524/4885RECQL 1058/4885ALDH1A1 517/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 GAA 3744/4885RECQL 349/4885ALDH1A1 548/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 GAA 2385/4885RECQL 161/4885ALDH1A1 441/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 GAA 3626/4885RECQL 485/4885ALDH1A1 682/4885

“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.