SCHEMBL6124274

SCHEMBL6124274

CC(C)c1ccc(-n2ccnc2)c(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
IDO1 P14902 3/20 0.40
AAK1 Q2M2I8 1/20 0.38
CYP19A1 P11511 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.35
ENPP2 Q13822 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL25442732 0.86 ALDH1A1 (0.39) ALDH1A1IDO1AAK1CYP19A1CYP11B1
SCHEMBL12913425 0.79 PDE4A (0.42) ALDH1A1IDO1CYP19A1CYP11B1CYP11B2
SCHEMBL10022428 0.78 IDO1 (0.49) ALDH1A1IDO1AAK1CYP19A1CYP11B1
SCHEMBL12913434 0.78 CYP19A1 (0.42) ALDH1A1IDO1AAK1CYP19A1CYP11B1
SCHEMBL25442239 0.78 CRHR1 (0.39) ALDH1A1IDO1CYP19A1CYP11B1CYP11B2
SCHEMBL25442215 0.78 IDO1 (0.45) ALDH1A1IDO1CYP19A1CYP11B1CYP11B2
SCHEMBL25442823 0.77 ALDH1A1 (0.37) ALDH1A1IDO1AAK1CYP19A1CYP11B1
SCHEMBL19732144 0.77 IDO1 (0.40) ALDH1A1IDO1AAK1CYP19A1CYP11B1
SCHEMBL9604701 0.76 KDM4E (0.34) GAA
SCHEMBL6124278 0.76 PSEN1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 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 (6 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885IDO1 4504/4885AAK1 1580/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885IDO1 4504/4885AAK1 1580/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3689/4885IDO1 4402/4885AAK1 2391/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3613/4885IDO1 3823/4885AAK1 2612/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 3991/4885IDO1 4405/4885AAK1 2032/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885IDO1 4595/4885AAK1 1630/4885

“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.