SCHEMBL6497079

SCHEMBL6497079

CC(C)(CC1CCN(C(=O)OCc2ccccc2)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GRIN2B Q13224 10/20 0.53
HTT P42858 1/20 0.53
CYP2C19 P33261 1/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.51
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
YAP1 P46937 2/20 0.47
STS P08842 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5351275 0.85 KDM4E (0.62) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL6961837 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL16399970 0.84 HTT (0.56) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL304546 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL951538 0.82 KMT2A (0.59) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL3093282 0.82 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL26077281 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL28550674 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL28546986 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL19717239 0.81 MEN1 (0.53) SMN1; SMN2NPC1RAB9AGRIN2BHTT

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
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP 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-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 2545/4885NPC1 1473/4885RAB9A 3252/4885

“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.