SCHEMBL16720944

SCHEMBL16720944

Cc1cc(-c2ncn(CC(C)(C)O)n2)cc(C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.34
HDAC1 Q13547 9/20 0.34
HDAC6 Q9UBN7 9/20 0.34
FFAR1 O14842 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
SCHEMBL2280831 0.79 HDAC1 (0.38) HDAC1HDAC6
SCHEMBL11996746 0.78 RAB9A (0.36) HDAC1HDAC6
SCHEMBL15263168 0.75 FFAR1 (0.40) XPO1FFAR1
SCHEMBL15428521 0.74 P2RX7 (0.32)
SCHEMBL21995669 0.73 HDAC1 (0.40) HDAC1HDAC6FFAR1
SCHEMBL15262270 0.72 FFAR1 (0.51) FFAR1
SCHEMBL11994464 0.71 TP53 (0.39) XPO1HDAC1HDAC6
SCHEMBL13748989 0.68 HDAC1 (0.30) HDAC1HDAC6
SCHEMBL17207244 0.68 TYK2 (0.35) HDAC1HDAC6
SCHEMBL12374151 0.67 PSMB5 (0.34) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
EP-3068768-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-09-21 EP disclosed
US-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. 2016-09-08 US disclosed
US-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. 2016-09-08 US disclosed
US-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. 2016-09-08 US disclosed
WO-2015073342-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015073342-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-05-21 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-20160257652-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 XPO1 4742/4885HDAC1 584/4885HDAC6 1930/4885

“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.