SCHEMBL19869939

SCHEMBL19869939

CN(C)c1cc(Br)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
PLA2G7 Q13093 1/20 0.48
MGLL Q99685 1/20 0.48
ABHD6 Q9BV23 1/20 0.48
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
BACE1 P56817 2/20 0.41
LMNA P02545 2/20 0.41
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41

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
SCHEMBL15093922 0.85 MGLL (0.51) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL21571768 0.85 PLA2G7 (0.51) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL15093924 0.84 MMP1 (0.51) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL2234786 0.84 ALDH1A1 (0.54) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL15094126 0.83 KDM4E (0.53) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL15094187 0.82 MGLL (0.70) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL15093719 0.82 MGLL (0.51) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL23435176 0.81 PLA2G7 (0.48) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL20503421 0.81 MGLL (0.48) MMP1MMP9MMP13ADAM17PLA2G7
SCHEMBL15100683 0.81 MGLL (0.69) MMP1MMP9MMP13ADAM17PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 MMP1 2876/4885MMP9 941/4885MMP13 4278/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 MMP1 2443/4885MMP9 607/4885MMP13 3979/4885

“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.