SCHEMBL30358680

SCHEMBL30358680

C[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.43
NAMPT P43490 2/20 0.42
ABHD6 Q9BV23 2/20 0.41
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PREP P48147 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
PDK2 Q15119 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL2910381 1.00 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL30358669 1.00 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL29133372 1.00 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL29133404 1.00 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL24602613 0.88 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL31103493 0.88 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL17210329 0.88 ESR2 (0.46) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL26914838 0.86 ESR2 (0.45) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL29781230 0.83 ESR2 (0.43) ESR2NR1H2NAMPTABHD6MAPK1
SCHEMBL12540757 0.83 ESR2 (0.43) ESR2NR1H2NAMPTABHD6MAPK1

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-20240317735-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2024-09-26 US disclosed
EP-4182032-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-05-24 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-20240317735-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, H1-3, HRH4 ESR2 3549/4885NR1H2 1048/4885NAMPT 2175/4885

“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.