SCHEMBL21294822

SCHEMBL21294822

CN(C)[C@H]1CC(c2cccc(-c3ccnn3C)c2)=CC[C@@H]1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.38
CTSA P10619 1/20 0.36
AKT2 P31751 4/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
SGK1 O00141 2/20 0.35
RPS6KB1 P23443 2/20 0.35
PRKCQ Q04759 2/20 0.35
ROCK1 Q13464 2/20 0.35
RPS6KA1 Q15418 2/20 0.35
AKT3 Q9Y243 2/20 0.35
ROCK2 O75116 1/20 0.35
ABL1 P00519 1/20 0.35
USP30 Q70CQ3 1/20 0.35
SCD5 Q86SK9 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL21306829 0.88 CFTR (0.34) AKT1CTSAAKT2ROCK2ABL1
SCHEMBL21294930 0.83 IRAK4 (0.39)
SCHEMBL21294766 0.81 PIN1 (0.37)
SCHEMBL21296540 0.81 PIN1 (0.37)
SCHEMBL21294804 0.80 LMNA (0.41)
SCHEMBL21296534 0.79 KMT2A (0.38)
SCHEMBL21311618 0.71 USP30 (0.41) CTSACTSVCTSLCTSBCTSS
SCHEMBL21306631 0.69 KAT6A (0.37) EPHX2
SCHEMBL21294791 0.68 TAS1R3 (0.35)
SCHEMBL23213820 0.66 PORCN (0.49) CTSACTSVCTSLCTSBCTSS

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 AKT1 2787/4885CTSA 647/4885AKT2 1864/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 AKT1 4575/4885CTSA 3726/4885AKT2 4214/4885

“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.