SCHEMBL20722669

SCHEMBL20722669

O=C(O)N[C@@H]1COc2cc(Br)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MALT1 Q9UDY8 5/20 0.45
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL17478383 1.00 MTNR1A (0.47) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL20722903 1.00 MTNR1A (0.47) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL17478440 0.86 MALT1 (0.51) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL17478439 0.86 MALT1 (0.51) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL20722424 0.84 ESR1 (0.52) MTNR1ALMNAPOLBTP53MAPT
SCHEMBL18983627 0.84 ESR1 (0.52) MTNR1ALMNAPOLBTP53MAPT
SCHEMBL20722869 0.83 POLB (0.56) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL17478340 0.83 MTNR1A (0.47) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL17478347 0.83 MALT1 (0.46) MTNR1AMALT1LMNAPOLBTP53
SCHEMBL17478346 0.83 MALT1 (0.46) MTNR1AMALT1LMNAPOLBTP53

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
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
EP-3833661-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Valo Early Discovery, Inc. (US) 2021-06-16 EP disclosed
EP-3665169-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2020-06-17 EP disclosed
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 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 2969/4885MALT1 1294/4885LMNA 3132/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 MTNR1A 2969/4885MALT1 1294/4885LMNA 3132/4885

“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.