SCHEMBL21130704

SCHEMBL21130704

Cc1nc(CC(C)(C)C)[nH]c1C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL2020536 0.73
Hydrochloric Acid SCHEMBL1365937 0.70 CACNA1H (0.32)
SCHEMBL3703329 0.70 GLA (0.40)
SCHEMBL21325256 0.69
SCHEMBL8327621 0.68 PKM (0.43) PKM
SCHEMBL20470648 0.68 SMN1; SMN2 (0.41) PKM
Iodide SCHEMBL632378 0.68 GLA (0.39)
SCHEMBL1911591 0.67
SCHEMBL9381916 0.67 ALDH1A1 (0.47) PKM
SCHEMBL4563307 0.67 NPSR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US disclosed
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 US 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-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 LMNA 4181/4885PKM 1020/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 LMNA 4181/4885PKM 1020/4885

“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.