SCHEMBL3095722

SCHEMBL3095722

Oc1c(O)c(Cl)c2c(c1Cl)CCNC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.71
ADRA2A P08913 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 5/20 0.36
KDM4E B2RXH2 5/20 0.36
RECQL P46063 4/20 0.36
DRD2 P14416 3/20 0.36
BLM P54132 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
THPO P40225 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
DRD5 P21918 1/20 0.36
MTOR P42345 1/20 0.36

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
Bromide SCHEMBL31018188 0.98 PNMT (0.68) PNMTADRA2AADRA2BADRA2CDRD1
Bromide SCHEMBL3091461 0.98 PNMT (0.68) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL5708775 0.83 PNMT (0.44) PNMTADRA2AADRA2BADRA2CHSD17B10
Hydrochloric Acid SCHEMBL5601615 0.80 PNMT (0.52) PNMTADRA2AADRA2BADRA2CRECQL
Hydrochloric Acid SCHEMBL5599748 0.80 PNMT (0.52) PNMTADRA2AADRA2BADRA2CRECQL
Hydrochloric Acid SCHEMBL6101884 0.80 PNMT (0.42) PNMTADRA2AADRA2BADRA2CHSD17B10
SCHEMBL20522903 0.75 PNMT (0.55) PNMTADRA2AADRA2BADRA2CDRD1
Bromide SCHEMBL30255056 0.74 PNMT (0.53) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL23683887 0.72 PNMT (0.52) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL15445351 0.72 PNMT (0.51) PNMTADRA2AADRA2BADRA2CDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
EP-3818055-B1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB PUBL (SE) 2022-02-16 EP disclosed
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ARCEDE PHARMA AB (SE) 2021-05-13 US disclosed
WO-2020009653-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB (PUBL) (SE) 2020-01-09 WO disclosed
US-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
US-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
US-8318768-B2 Bronchodilating alpha, beta-unsaturated isoquinoline amides RESPIRATORIUS AB (SE) 2012-11-27 US disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
EP-2181095-B1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2012-08-22 EP disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES ARCEDE PHARMA AB (SE) 2010-10-07 US disclosed
EP-2181095-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES Respiratorius AB (SE) 2010-05-05 EP disclosed
WO-2009007419-A1 NOVEL BRONCHODILATING ISOQUINOLINE CARBAMATES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007420-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007420-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2007011290-A1 Bronchorelaxing agents based on indol- and isoquinoline derivatives RESPIRATORIUS AB (SE) 2007-01-25 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 (3 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-11680054-B2 Bronchodilating hetero-linked amides PTGIS, PTGIR, ADRB2 PNMT 1180/4885ADRA2A 30/4885ADRA2B 11/4885
US-20100256101-A1 NOVEL BRONCHODILATING ALPHA, BETA-UNSATURATED ISOQUINOLINE AMIDES PTGIS, ADRB2, ADRB1 PNMT 2013/4885ADRA2A 13/4885ADRA2B 11/4885
US-20210139455-A1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES ADRB2, ADRB1, PTGIS PNMT 1286/4885ADRA2A 24/4885ADRA2B 8/4885

“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.