SCHEMBL21688596

SCHEMBL21688596

CC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@H](COc1nsnc1N1CCOCC1)CN(C(=O)[C@H](C)OC(=O)[C@H](C)OC(C)=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD1 P21728 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
BLM P54132 1/20 0.46
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LIPA P38571 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL20511591 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688950 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688623 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688460 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688611 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688624 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688533 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688519 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688637 1.00 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL21688716 1.00 CYP1A2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2023-02-23 US disclosed
US-20230056284-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2023-02-23 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
US-11160870-B2 Extended release microparticles and suspensions thereof for medical therapy Graybug Vision, Inc. (US) 2021-11-02 US disclosed
US-20200230246-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY Graybug Vision, Inc. (US) 2020-07-23 US disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 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 (6 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-11160870-B2 Extended release microparticles and suspensions thereof for medical therapy CHMP4B, EXOSC9, EXOSC5 CYP1A2 2730/4885ADRB2 1066/4885ADRB1 990/4885
US-20230058971-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 CYP1A2 2730/4885ADRB2 1066/4885ADRB1 990/4885
US-20200230246-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 CYP1A2 2730/4885ADRB2 1066/4885ADRB1 990/4885
US-20230056284-A1 EXTENDED RELEASE MICROPARTICLES AND SUSPENSIONS THEREOF FOR MEDICAL THERAPY CHMP4B, EXOSC9, EXOSC5 CYP1A2 2730/4885ADRB2 1066/4885ADRB1 990/4885

“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.