SCHEMBL20601554

SCHEMBL20601554

CC(C)CC(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CCR1 P32246 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
STS P08842 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
GPR119 Q8TDV5 2/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL20601449 0.90 KDM4E (0.51) KDM4EPKMHTTNPSR1KMT2A
SCHEMBL23088094 0.90 KDM4E (0.51) KDM4EPKMHTTNPSR1KMT2A
SCHEMBL20601221 0.86 KDM4E (0.53) KDM4EPKMSMN1; SMN2HTTNPSR1
SCHEMBL20601353 0.86 KDM4E (0.53) KDM4EPKMSMN1; SMN2HTTNPSR1
SCHEMBL20601223 0.86 KDM4E (0.53) KDM4EPKMSMN1; SMN2HTTNPSR1
SCHEMBL20600961 0.85 SMN1; SMN2 (0.51) KDM4EPKMSMN1; SMN2HTTNPSR1
SCHEMBL20615730 0.85 SMN1; SMN2 (0.51) KDM4EPKMSMN1; SMN2HTTNPSR1
SCHEMBL20618721 0.85 CCR1 (0.54) KDM4ESMN1; SMN2CCR1ALDH1A1ITGB3
SCHEMBL20601533 0.84 KDM4E (0.51) KDM4EPKMSMN1; SMN2HTTNPSR1
SCHEMBL20601205 0.84 KDM4E (0.44) KDM4EPKMSMN1; SMN2HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed
WO-2019003142-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 (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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KDM4E 657/4885PKM 892/4885SMN1; SMN2 2957/4885

“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.