SCHEMBL17276288

SCHEMBL17276288

OC1(c2ccccc2C(F)(F)F)CCOc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
HDAC4 P56524 1/20 0.39
CTNNB1 P35222 4/20 0.38
WNT3A P56704 4/20 0.38
MAP3K14 Q99558 2/20 0.37
BACE1 P56817 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL17276119 0.82 CTNNB1 (0.46) PDK2HDAC4CTNNB1WNT3AMAP3K14
SCHEMBL17276351 0.79 PDK2 (0.44) PDK2HDAC4BACE1
SCHEMBL17276575 0.78 PDK2 (0.48) PDK2HDAC4CTNNB1WNT3AMAPT
SCHEMBL23705407 0.70 MAPT (0.41) MAP3K14BACE1LMNAMAPTHTT
SCHEMBL12144413 0.69 LMNA (0.43) MAP3K14BACE1LMNAMAPTHTT
SCHEMBL23704905 0.69 AKR1B1 (0.36) PDK2MAP3K14LMNAMAPTHTT
SCHEMBL17802125 0.69 MAPT (0.46) BACE1LMNAMAPTHTTBLM
SCHEMBL14053778 0.68 BACE1 (0.37) PDK2BACE1LMNAMAPTHTT
SCHEMBL14053726 0.68 BACE1 (0.37) PDK2BACE1LMNAMAPTHTT
SCHEMBL14053774 0.68 BACE1 (0.37) PDK2BACE1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 US disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 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 (2 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 PDK2 1684/4885HDAC4 549/4885CTNNB1 2520/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 PDK2 1684/4885HDAC4 549/4885CTNNB1 2520/4885

“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.