SCHEMBL20511560

SCHEMBL20511560

CC(C)(C)NCC(COc1nsnc1N1CCOCC1)OC(=O)CCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
CYP3A4 P08684 1/20 0.67
HTR1A P08908 1/20 0.67
CYP2D6 P10635 1/20 0.67
ADRB3 P13945 1/20 0.67
NFKB1 P19838 1/20 0.67
DRD1 P21728 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
BLM P54132 1/20 0.67
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL20511558 1.00 CYP1A2 (0.67) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL20511606 0.96 CYP1A2 (0.72) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL20511605 0.96 CYP1A2 (0.72) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL28342888 0.94 CYP1A2 (0.65) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688690 0.94 CYP1A2 (0.65) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688669 0.92 CYP1A2 (0.70) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688500 0.91 CYP1A2 (0.68) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL22959828 0.91 CYP1A2 (0.68) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL22959866 0.91 CYP1A2 (0.68) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL22260714 0.91 CYP1A2 (0.65) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2024-03-21 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
EP-3723750-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2020-10-21 EP disclosed
US-20200308162-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2020-10-01 US disclosed
CN-111465394-A Drugs and compositions for ocular delivery 灰色视觉公司 2020-07-28 CN disclosed
EP-3600324-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-02-05 EP disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 US disclosed
CN-110662543-A Medicaments and compositions for treating ocular diseases 灰色视觉公司 2020-01-07 CN disclosed
WO-2019118924-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2019-06-20 WO disclosed
WO-2018175922-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-09-27 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 (4 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-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D CYP1A2 2699/4885ADRB2 669/4885ADRB1 561/4885
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D CYP1A2 2699/4885ADRB2 669/4885ADRB1 561/4885
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D CYP1A2 2699/4885ADRB2 669/4885ADRB1 561/4885
US-20200308162-A1 DRUGS AND COMPOSITIONS FOR OCULAR DELIVERY AGER, PDE6B, PTGER1 CYP1A2 1037/4885ADRB2 185/4885ADRB1 59/4885

“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.