SCHEMBL4903319

SCHEMBL4903319

COCCc1ccc(OCC(O)CNC2CN(C(=O)COc3ccc(C4=NNC(=O)CC4)cc3Cl)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
NPY1R P25929 2/20 0.38
NPY2R P49146 2/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
PDE4D Q08499 2/20 0.38
NR3C1 P04150 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2J2 P51589 1/20 0.38
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL4902189 1.00 MAPT (0.39) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL4899688 0.95 ATF4 (0.38) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL4899681 0.95 ATF4 (0.38) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL4892502 0.93 ATF4 (0.41) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL4903082 0.93 ATF4 (0.41) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL4892581 0.84 ADRB3 (0.45) MAPTKMT2ANPSR1ADRB2ADRB1
SCHEMBL4903640 0.84 ADRB3 (0.45) MAPTKMT2ANPSR1ADRB2ADRB1
SCHEMBL4895616 0.84 CYP2D6 (0.41) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL4895619 0.84 CYP2D6 (0.41) MAPTKMT2ANPY1RNPY2RPMP22
SCHEMBL14023059 0.83 ADRB2 (0.47) KMT2AADRB2ADRB1PDE4DNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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 (1 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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 MAPT 2409/4885KMT2A 4700/4885NPY1R 265/4885

“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.