SCHEMBL13149011

SCHEMBL13149011

CNCC(O)COc1nsnc1N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.77
ADRB2 P07550 1/20 0.77
ADRB1 P08588 1/20 0.77
CYP3A4 P08684 1/20 0.77
HTR1A P08908 1/20 0.77
CYP2D6 P10635 1/20 0.77
ADRB3 P13945 1/20 0.77
NFKB1 P19838 1/20 0.77
DRD1 P21728 1/20 0.77
SIGMAR1 Q99720 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.66
BLM P54132 1/20 0.66
ALDH1A1 P00352 5/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 5/20 0.53

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
SCHEMBL11193337 0.88 CYP1A2 (0.74) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL11755634 0.88 CYP1A2 (0.74) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL10983705 0.88 CYP1A2 (0.74) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL2553603 0.87 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL222970 0.87 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL4912 0.87 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL1587691 0.87 CYP1A2 (1.00) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL2356059 0.86 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL8858736 0.86 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A
Timolol SCHEMBL7591293 0.86 CYP1A2 (0.98) CYP1A2ADRB2ADRB1CYP3A4HTR1A

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 CYP1A2 718/4885ADRB2 3/4885ADRB1 1/4885
US-20170360948-A1 OLIGOMER-BETA BLOCKER CONJUGATES ADRB1, ADRB2, ADRA2B CYP1A2 1305/4885ADRB2 2/4885ADRB1 1/4885

“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.