SCHEMBL3009533

SCHEMBL3009533

Nc1cnc2c(c1)CCC(NC(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
MAPK1 P28482 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
ACHE P22303 3/20 0.33
ABL1 P00519 1/20 0.32
GRIN2B Q13224 1/20 0.32
SCN9A Q15858 2/20 0.32
SCN3A Q9NY46 2/20 0.32
SCN5A Q14524 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL20722710 0.83 MTNR1A (0.35) MTNR1AMTNR1BMAPK1CA1CA2
SCHEMBL20732042 0.79 CA1 (0.54) CA1CA2ACHE
SCHEMBL29630973 0.79 CA1 (0.54) CA1CA2ACHE
SCHEMBL3020771 0.79 HDAC8 (0.43) MTNR1AMTNR1BGRIN2B
SCHEMBL3020769 0.79 HDAC8 (0.43) MTNR1AMTNR1BGRIN2B
SCHEMBL17478336 0.75 CA1 (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL28888447 0.75 CA1 (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL28390602 0.75 CA1 (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3019085 0.75 ABL1 (0.30) ABL1
SCHEMBL3020759 0.74 MTNR1A (0.38) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
EP-3665169-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2020-06-17 EP disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 MTNR1A 2969/4885MTNR1B 3848/4885MAPK1 2061/4885
US-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH MTNR1A 4161/4885MTNR1B 3836/4885MAPK1 3879/4885

“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.