SCHEMBL20601760

SCHEMBL20601760

COC(=O)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
HDAC3 O15379 11/20 0.56
HDAC4 P56524 11/20 0.56
HDAC1 Q13547 11/20 0.56
HDAC7 Q8WUI4 11/20 0.56
HDAC2 Q92769 11/20 0.56
HDAC10 Q969S8 11/20 0.56
HDAC11 Q96DB2 11/20 0.56
HDAC8 Q9BY41 11/20 0.56
HDAC6 Q9UBN7 11/20 0.56
HDAC9 Q9UKV0 11/20 0.56
HDAC5 Q9UQL6 11/20 0.56
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
GLA P06280 4/20 0.51
HPGD P15428 3/20 0.51
CASP1 P29466 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP7 P55210 2/20 0.51
GAA P10253 5/20 0.50

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
SCHEMBL1175533 0.89 KMT2A (0.82) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL308621 0.88 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3490895 0.88 KMT2A (0.61) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL308831 0.85 KMT2A (0.57) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1546722 0.84 KMT2A (0.57) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4509653 0.83 EPHX2 (0.60) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1175762 0.83 HDAC3 (0.60) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1547311 0.81 KMT2A (0.53) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20616582 0.81 KMT2A (0.55) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1979356 0.81 KDM4E (0.59) KMT2AHDAC3HDAC4HDAC1HDAC7

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
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-02 US disclosed
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-02 US disclosed
US-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
US-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
EP-3645538-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
WO-2019003148-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003148-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KMT2A 1143/4885HDAC3 185/4885HDAC4 869/4885
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 KMT2A 1143/4885HDAC3 185/4885HDAC4 869/4885

“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.