SCHEMBL4895616

SCHEMBL4895616

COCCc1ccc(OC[C@@H](O)CNC(C)(C)CNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.41
CASR P41180 3/20 0.39
HPGD P15428 1/20 0.38
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 2/20 0.38
ADRB1 P08588 2/20 0.38
NR3C1 P04150 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2J2 P51589 1/20 0.38
PDE4D Q08499 1/20 0.38
ADRB3 P13945 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL4895619 1.00 CYP2D6 (0.41) CYP2D6CASRHPGDNPY1RNPY2R
SCHEMBL4888994 0.89 CA12 (0.43) CYP2D6LMNASMN1; SMN2KMT2ACYP3A4
SCHEMBL5255582 0.86 CYP2D6 (0.40) CYP2D6CASRNPY1RNPY2RPMP22
SCHEMBL4883182 0.86 KMT2A (0.40) HPGDNPY1RNPY2RADRB2ADRB1
SCHEMBL14023059 0.85 ADRB2 (0.47) CYP2D6ADRB2ADRB1NR3C1ADRA1A
SCHEMBL4880298 0.85 KMT2A (0.43) CYP2D6CASRNPY1RNPY2RADRB2
SCHEMBL8263801 0.85 PDE3B (0.41) HPGDNPY1RNPY2RPDE4DLMNA
SCHEMBL8262868 0.84 ADRB2 (0.46) CYP2D6NPY1RNPY2RADRB2ADRB1
SCHEMBL4890599 0.84 CA12 (0.43) HPGDNPY1RNPY2RADRB2ADRB1
SCHEMBL4890601 0.84 CA12 (0.43) HPGDNPY1RNPY2RADRB2ADRB1

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 5 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 claimed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 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 CYP2D6 1095/4885CASR 37/4885HPGD 1011/4885

“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.