SCHEMBL19869933

SCHEMBL19869933

COc1cc(Br)cc(OC)c1CN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ADRB1 P08588 1/20 0.40
CHRM3 P20309 1/20 0.40
GNAI3 P08754 1/20 0.40

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
SCHEMBL14252518 0.85 ADRB1 (0.53) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL19869938 0.82 GAA (0.67) GAAKDM4ETDP1ALDH1A1
SCHEMBL29690180 0.78 CYP1A2 (0.55) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL20545632 0.78 CYP1A2 (0.55) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL13427885 0.77 DDR1 (0.48) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Bromide SCHEMBL3217532 0.76 DDR1 (0.47) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Hydrochloric Acid SCHEMBL27837634 0.75 KDM4E (0.63) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL13452367 0.75 CYP1A2 (0.51) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL916993 0.75 CYP1A2 (0.45) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL28511352 0.75 CHRNB2 (0.53) CHRNB2CHRNA4ADRB1

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 CYP1A2 2375/4885CHRM2 1225/4885SLC6A4 4262/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 CYP1A2 2091/4885CHRM2 1218/4885SLC6A4 4348/4885

“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.