SCHEMBL7593903

SCHEMBL7593903

CC(C)(C)NC[CH]COc1nsnc1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
CYP1A2 P05177 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTR1A P08908 1/20 0.62
CYP2D6 P10635 1/20 0.62
ADRB3 P13945 1/20 0.62
NFKB1 P19838 1/20 0.62
DRD1 P21728 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 4/20 0.49

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
SCHEMBL18938268 0.80 TDP1 (0.64) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL22486487 0.78 TDP1 (0.78) TDP1CYP1A2ADRB2ADRB1CYP3A4
Timolol SCHEMBL1587691 0.77 CYP1A2 (1.00) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL9817959 0.77 CYP1A2 (0.63) TDP1CYP1A2ADRB2ADRB1CYP3A4
Timolol SCHEMBL222970 0.77 CYP1A2 (1.00) TDP1CYP1A2ADRB2ADRB1CYP3A4
Timolol SCHEMBL4912 0.77 CYP1A2 (1.00) TDP1CYP1A2ADRB2ADRB1CYP3A4
Timolol SCHEMBL2553603 0.77 CYP1A2 (1.00) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL11529594 0.77 HTT (0.61) TDP1CYP1A2ADRB2ADRB1CYP3A4
Timolol SCHEMBL7591293 0.76 CYP1A2 (0.98) TDP1CYP1A2ADRB2ADRB1CYP3A4
SCHEMBL15608432 0.76 CYP1A2 (0.74) TDP1CYP1A2ADRB2ADRB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964224-B1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2024-07-03 EP disclosed
US-11787906-B2 Biodegradable drug-polymer conjugate POLYACTIVA PTY LTD (AU) 2023-10-17 US disclosed
US-20200123322-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE POLYACTIVA PTY LTD (AU) 2020-04-23 US disclosed
CN-110662561-A Biodegradable drug-polymer conjugates 波利艾克蒂瓦有限公司 2020-01-07 CN disclosed
US-10111886-B2 Polymer conjugate for delivery of a bioactive agent POLYACTIVA PTY LTD (AU) 2018-10-30 US disclosed
US-10113033-B2 Polymer conjugate for delivery of a bioactive agent POLYACTIVA PTY LTD (AU) 2018-10-30 US disclosed
WO-2018140580-A1 NANOPARTICLES FOR SUSTAINED OPHTHALMIC DRUG DELIVERY AND METHODS OF USE 2C TECH CORP. (US) 2018-08-02 WO disclosed
US-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-08-03 US disclosed
US-20170182173-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-06-29 US disclosed
US-9572892-B2 Polymer conjugate for delivery of a bioactive agent POLYACTIVA PTY LTD (AU) 2017-02-21 US disclosed
US-20160000929-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2016-01-07 US disclosed
EP-0941218-B1 ANTITHROMBOTIC ORGANIC NITRATES NICOX SA (FR) 2002-10-16 EP disclosed
US-6242432-B1 ANTIHYPERTENSIVE ACTIVITY, ANTIHYPERSENSITIVE ACTIVITY; TREATMENT OF CARDIOVASCULAR DISEASE NICOX S.A. (FR) 2001-06-05 US disclosed
WO-1990007927-A1 AGENT FOR TREATING PROSTATIC HYPERPLASIA SEINFELD HUGO (DE) 1990-07-26 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 (7 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-20200123322-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE ADRB3, PTGER3, CHRNE TDP1 3114/4885CYP1A2 101/4885ADRB2 13/4885
US-10113033-B2 Polymer conjugate for delivery of a bioactive agent PTGIS, PTGIR, PGF TDP1 1112/4885CYP1A2 1386/4885ADRB2 2436/4885
US-10111886-B2 Polymer conjugate for delivery of a bioactive agent PTGIS, PTGIR, PGF TDP1 1152/4885CYP1A2 1463/4885ADRB2 74/4885
US-20160000929-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF TDP1 1495/4885CYP1A2 1282/4885ADRB2 101/4885
US-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF TDP1 1152/4885CYP1A2 1463/4885ADRB2 74/4885
US-20170182173-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF TDP1 1112/4885CYP1A2 1386/4885ADRB2 2436/4885
US-11787906-B2 Biodegradable drug-polymer conjugate ADRB3, PTGER3, CHRM3 TDP1 2961/4885CYP1A2 94/4885ADRB2 16/4885

“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.