SCHEMBL17276293

SCHEMBL17276293

CC1(C)CC(=O)Nc2cc(Br)c(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
CMA1 P23946 1/20 0.37
AHR P35869 1/20 0.37
MAP3K5 Q99683 1/20 0.36
PGR P06401 4/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
IDO1 P14902 3/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL29706774 1.00 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL2242248 0.82 BCHE (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8700087 0.79 BCHE (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6797508 0.78 RARB (0.39) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23675002 0.77 RARB (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL31714583 0.77 RARB (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3797862 0.76 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29706809 0.76 MAP3K5 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16896885 0.75 GRIN2D (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL26443454 0.75 RARB (0.39) HDAC3HDAC4HDAC1HDAC2HDAC8

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 7 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
CN-114585616-B Amide derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-114585616-A Amide derivatives and their use in medicine 广东东阳光药业有限公司 2022-06-03 CN disclosed
WO-2021031071-A1 AMIDE DERIVATIVE AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-02-25 WO 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 HDAC3 391/4885HDAC4 549/4885HDAC1 584/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 HDAC3 391/4885HDAC4 549/4885HDAC1 584/4885

“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.