SCHEMBL7097967

SCHEMBL7097967

CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
BTK Q06187 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CDK9 P50750 1/20 0.44
GRM4 Q14833 3/20 0.43
CCR1 P32246 1/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STS P08842 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KAT6A Q92794 1/20 0.40
KAT5 Q92993 1/20 0.40

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
SCHEMBL25041806 0.81 EPHX1 (0.48) KMT2AMEN1BTKSMN1; SMN2KDM1A
SCHEMBL23487783 0.78 CDK9 (0.51) BTKCDK9CCR1L3MBTL1
SCHEMBL7102135 0.78 KMT2A (0.57) KMT2AMEN1SMN1; SMN2GRM4
SCHEMBL5548398 0.78 BTK (0.47) KMT2AMEN1BTKCDK9CCR1
SCHEMBL3907863 0.78 BTK (0.47) KMT2AMEN1BTKCDK9CCR1
SCHEMBL31184662 0.78 POLB (0.47) BTKSMN1; SMN2CDK9GRM4KDM1A
SCHEMBL31185020 0.78 POLB (0.47) BTKSMN1; SMN2CDK9GRM4KDM1A
SCHEMBL3900663 0.77 TSHR (0.46) KMT2AMEN1BTKCDK9CCR1
SCHEMBL23487782 0.77 CDK9 (0.58) SMN1; SMN2CDK9
SCHEMBL18349376 0.76 CDK9 (0.57) BTKCDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US disclosed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 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 (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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH KMT2A 4656/4885MEN1 4855/4885BTK 2796/4885

“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.