SCHEMBL13148951

SCHEMBL13148951

CNCC(O)COc1ccccc1C1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.75
CYP1A2 P05177 2/20 0.75
USP2 O75604 1/20 0.75
ADRA2A P08913 1/20 0.75
CYP2D6 P10635 1/20 0.75
CHRM1 P11229 1/20 0.75
CYP2C9 P11712 1/20 0.75
DRD1 P21728 1/20 0.75
TBXA2R P21731 1/20 0.75
PTGS1 P23219 1/20 0.75
SLC6A2 P23975 1/20 0.75
SLC6A4 P31645 1/20 0.75
ADRA1A P35348 1/20 0.75
OPRM1 P35372 1/20 0.75
DRD3 P35462 1/20 0.75
KCNH2 Q12809 1/20 0.75
ALOX15 P16050 1/20 0.59
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL30295338 0.88 CYP1A2 (0.73) HTR1ACYP1A2USP2ADRA2ACYP2D6
Exaprolol SCHEMBL614255 0.87 CYP1A2 (0.72) HTR1ACYP1A2USP2ADRA2ACYP2D6
Exaprolol SCHEMBL612844 0.86 CYP1A2 (0.70) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL30872868 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL29483932 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL41408 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL6511962 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL1652319 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL31572112 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6
Penbutolol SCHEMBL49358 0.86 HTR1A (1.00) HTR1ACYP1A2USP2ADRA2ACYP2D6

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-20170360948-A1 OLIGOMER-BETA BLOCKER CONJUGATES NEKTAR THERAPEUTICS 2017-12-21 US disclosed
US-9782488-B2 Oligomer-beta blocker conjugates NEKTAR THERAPEUTICS (US) 2017-10-10 US disclosed
US-20100227865-A1 Oligomer-Beta Blocker Conjugates NEKTAR THERAPEUTICS 2010-09-09 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-20100227865-A1 Oligomer-Beta Blocker Conjugates ADRB1, ADRA2B, ADRB2 HTR1A 2555/4885CYP1A2 718/4885USP2 2905/4885
US-20170360948-A1 OLIGOMER-BETA BLOCKER CONJUGATES ADRB1, ADRB2, ADRA2B HTR1A 2859/4885CYP1A2 1305/4885USP2 3111/4885

“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.