SCHEMBL237739

SCHEMBL237739

NC(=O)C1(c2ccc(Br)cc2)CC2(C1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PRNP P04156 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1351379 0.85 SMN1; SMN2 (0.39) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL2130769 0.77 OPRL1 (0.44) OPRL1HDAC1HDAC3HDAC7HDAC2
SCHEMBL15349227 0.77 HDAC1 (0.53) OPRL1HDAC1HDAC3HDAC7HDAC2
SCHEMBL2031283 0.74 LMNA (0.40) OPRL1HDAC1HDAC3HDAC7HDAC2
SCHEMBL19331014 0.74 HDAC1 (0.48) OPRL1HDAC1HDAC3HDAC7HDAC2
SCHEMBL1141468 0.74 LMNA (0.53) OPRL1HDAC1HDAC3HDAC7HDAC2
SCHEMBL237773 0.74 LMNA (0.49) OPRL1HDAC1HDAC3HDAC7HDAC2
SCHEMBL237630 0.74 TAAR1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL20972229 0.74 HDAC1 (0.51) HDAC1HDAC3HDAC7HDAC2HDAC8
SCHEMBL29604970 0.73 LMNA (0.55) OPRL1HDAC1HDAC3HDAC7HDAC2

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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 (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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 OPRL1 4634/4885HDAC1 277/4885HDAC3 583/4885

“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.