SCHEMBL20831024

SCHEMBL20831024

CC(C)C[C@H](N)c1cn(C)nn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
UBE2N P61088 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
PGR P06401 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12854188 0.78
SCHEMBL6736576 0.73
SCHEMBL19041027 0.70
SCHEMBL20029368 0.70
SCHEMBL7995525 0.70
SCHEMBL23221279 0.70 IDO1 (0.32) PGRCYP2C19
SCHEMBL22698692 0.70 IDO1 (0.32) PGRCYP2C19
SCHEMBL20715644 0.70
SCHEMBL14084264 0.70
SCHEMBL20204351 0.70

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-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof GENENTECH, INC. (US) 2020-04-28 US disclosed
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2019-03-21 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-10632210-B2 Peptidomimetic compounds and antibody-drug conjugates thereof DNPEP, LNPEP, BCR TAAR1 3788/4885UBE2N 3330/4885AAK1 4200/4885
US-20190083643-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR TAAR1 3788/4885UBE2N 3330/4885AAK1 4200/4885

“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.