SCHEMBL2280968

SCHEMBL2280968

N#Cc1ccc(C2(Cc3ccccc3)OCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ICMT O60725 1/20 0.38
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
SLC6A4 P31645 2/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL14778250 0.83 TSHR (0.46) TSHRMAOBMAOAOPRM1OPRK1
SCHEMBL2286730 0.79 KDM1A (0.42) TSHRMAOBMAOANPSR1MAPT
SCHEMBL3627375 0.77 GSK3B (0.37) TSHRMAOBMAOAICMTSLC6A4
SCHEMBL13825423 0.77 CYP2A6 (0.34) TSHRICMTOPRM1OPRD1OPRK1
SCHEMBL27716965 0.77 CYP2A6 (0.34) TSHRICMTOPRM1OPRD1OPRK1
SCHEMBL14778741 0.76 TSHR (0.41) TSHRMAOBMAOAOPRM1OPRK1
SCHEMBL14779003 0.76 TSHR (0.41) TSHRMAOBMAOAOPRM1OPRK1
SCHEMBL10763758 0.76 ALDH1A1 (0.42) TSHRMAOBMAOANPSR1MAPT
SCHEMBL5604190 0.75 TSHR (0.46) TSHRMAOBMAOAICMTMAPT
SCHEMBL10342511 0.71 CYP2A6 (0.40) ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
CN-101374515-B Inhibitors of akt activity MERCK SHARP & DOHME 2013-01-09 CN disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
CN-101374515-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-02-25 CN disclosed
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 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 (1 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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D TSHR 2865/4885MAOB 2359/4885MAOA 1720/4885

“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.