SCHEMBL19869957

SCHEMBL19869957

Cc1cc(Br)ccc1C1(N(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRK1 P41145 3/20 0.36
OPRL1 P41146 2/20 0.36
PYCR1 P32322 1/20 0.36
KDM1A O60341 1/20 0.35
BACE1 P56817 7/20 0.35
APP P05067 5/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 2/20 0.34
PGR P06401 1/20 0.34
OGFRL1 Q5TC84 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL19869930 0.77 PYCR1 (0.40) OPRM1OPRL1PYCR1MEN1ALOX15
SCHEMBL15301056 0.72 PRKAB2 (0.39) OPRM1OPRK1OPRL1BACE1APP
SCHEMBL5735598 0.72 BACE1 (0.32) BACE1MEN1MAPTALOX15ALOX12
SCHEMBL19869976 0.70 KDM4E (0.40) PYCR1MEN1MAPTALOX15KMT2A
SCHEMBL10476540 0.69 OPRM1 (0.60) OPRM1OPRK1OPRL1OPRD1
SCHEMBL5736582 0.68 SSTR4 (0.32) BACE1APP
Hydrochloric Acid SCHEMBL1141265 0.67 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1
SCHEMBL26272370 0.67 MEN1 (0.36) KDM1AMEN1MAPTALOX15ALOX12
SCHEMBL29134369 0.67 POLB (0.36) BACE1APPMEN1MAPTALOX15
SCHEMBL5735533 0.66 MAOB (0.39) OPRM1OPRK1OPRL1MEN1KMT2A

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 OPRM1 3584/4885OPRK1 2220/4885OPRL1 2459/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 OPRM1 3794/4885OPRK1 2537/4885OPRL1 2808/4885

“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.