SCHEMBL6527995

SCHEMBL6527995

CC(=O)N1CC(C)(C)c2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.62
HSD17B3 P37058 4/20 0.46
ANPEP P15144 3/20 0.40
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AMPD2 Q01433 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17446878 0.88 NOTUM (0.62) NOTUMHSD17B3CNR2AMPD2
SCHEMBL6037236 0.84 NOTUM (0.48) NOTUMHSD17B3ANPEPTP53MAPT
SCHEMBL6605105 0.83 NOTUM (0.64) NOTUMHSD17B3CNR2TP53MAPT
SCHEMBL1607911 0.83 NOTUM (0.64) NOTUMHSD17B3CNR2MAPTKMT2A
SCHEMBL6607583 0.81 NOTUM (0.62) NOTUMCNR2MAPTAMPD2ALDH1A1
SCHEMBL3025336 0.81 NOTUM (0.62) NOTUMHSD17B3ANPEPCNR2AMPD2
SCHEMBL5461555 0.81 NOTUM (0.62) NOTUMHSD17B3CNR2MAPTKMT2A
SCHEMBL30630720 0.80 KDM1A (0.41) NOTUMCNR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15676877 0.80 KDM1A (0.41) NOTUMCNR2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2204666 0.79 NOTUM (0.59) NOTUMHSD17B3MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 US disclosed
EP-2699562-B1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2017-11-23 US disclosed
US-9676768-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-06-13 US disclosed
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 US disclosed
US-9018214-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2015-04-28 US disclosed
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-06-26 US disclosed
WO-2014089324-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-06-12 WO disclosed
EP-2699562-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2014-02-26 EP disclosed
WO-2012143726-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-10-26 WO disclosed
WO-2005092853-A1 METHOD FOR PRODUCING 5-BROMO-3,3-DIMETHYL-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE BAYER HEALTHCARE AG (DE) 2005-10-06 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 (6 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-20170334907-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885HSD17B3 1286/4885ANPEP 3279/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885HSD17B3 1286/4885ANPEP 3279/4885
US-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885HSD17B3 1286/4885ANPEP 3279/4885
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885HSD17B3 1286/4885ANPEP 3279/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885HSD17B3 1286/4885ANPEP 3279/4885
US-20140179666-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885HSD17B3 1286/4885ANPEP 3279/4885

“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.