SCHEMBL19869969

SCHEMBL19869969

CN1CCN(C2(c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
DUSP3 P51452 2/20 0.44
PTPN5 P54829 2/20 0.44
PTPN11 Q06124 2/20 0.44
HSD11B1 P28845 2/20 0.42
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2C Q14957 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
SCHEMBL1141340 0.82 GRIN1 (0.55) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL25053839 0.82 GRIN1 (0.44) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL24762646 0.81 HSD11B1 (0.39) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL24246992 0.79 GRIN1 (0.38) ALDH1A1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL13535855 0.79 HSD11B1 (0.40) ALDH1A1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL18580036 0.78 MMP2 (0.48) ALDH1A1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL3228513 0.78 HSD11B1 (0.46) ALDH1A1HSD11B1GRIN1GRIN2AGRIN2B
SCHEMBL24763406 0.77 HSD11B1 (0.37) HSD11B1GRIN1GRIN2AGRIN2BGRIN2D
SCHEMBL14279640 0.76 SLC6A4 (0.56) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL19869940 0.75 ALDH1A1 (0.36) ALDH1A1DUSP3PTPN5PTPN11NPC1

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 ALDH1A1 2654/4885DUSP3 1367/4885PTPN5 1911/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 ALDH1A1 2461/4885DUSP3 1235/4885PTPN5 1684/4885

“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.