SCHEMBL731546

SCHEMBL731546

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(N)ccc1O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
GPR119 Q8TDV5 4/20 0.49
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
GLA P06280 5/20 0.48
HPGD P15428 4/20 0.48
CASP1 P29466 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CASP7 P55210 2/20 0.48

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
SCHEMBL471290 0.88 KMT2A (0.74) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3494576 0.88 KMT2A (0.62) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3494575 0.88 KMT2A (0.62) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL21467195 0.88 KMT2A (0.59) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3490895 0.87 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2594364 0.87 KMT2A (0.58) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL309010 0.87 KMT2A (0.58) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1690779 0.87 HSD11B1 (0.60) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL308621 0.87 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL31235967 0.87 GPR119 (0.56) KMT2AHDAC1HDAC2GPR119HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 KMT2A 3686/4885HDAC3 107/4885HDAC4 948/4885

“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.