SCHEMBL28720658

SCHEMBL28720658

CCOC(=O)c1cnn(CCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
TEAD2 Q15562 1/20 0.46
CYP1A2 P05177 3/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM2 Q14416 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL25141302 0.91 L3MBTL1 (0.50) L3MBTL1TEAD2CYP1A2LMNACYP3A4
SCHEMBL9699812 0.86 L3MBTL1 (0.48) L3MBTL1TEAD2CYP1A2LMNACYP3A4
SCHEMBL12804233 0.85 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL25911751 0.85 L3MBTL1 (0.66) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL21281664 0.84 L3MBTL1 (0.47) L3MBTL1TEAD2CYP1A2LMNACYP3A4
SCHEMBL1493352 0.84 L3MBTL1 (0.51) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL4759383 0.82 L3MBTL1 (0.50) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL3383513 0.82 ALDH1A1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL2823114 0.81 L3MBTL1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA
SCHEMBL20139154 0.81 L3MBTL1 (0.49) L3MBTL1CYP1A2LMNACYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof LUPIN LIMITED (IN) 2025-11-25 US disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 EP disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 EP disclosed
CN-114174303-B Macrocyclic compounds as STING agonists and methods and uses thereof 印度鲁宾有限公司 2024-06-25 CN disclosed
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof LUPIN LIMITED (IN) 2022-09-15 US disclosed
EP-4004002-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF Lupin Limited (IN) 2022-06-01 EP disclosed
CN-114174303-A Macrocyclic compounds as STING agonists, methods and uses thereof 印度鲁宾有限公司 2022-03-11 CN disclosed
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 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 (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-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof STING1, CGAS, MAVS L3MBTL1 4124/4885TEAD2 3282/4885CYP1A2 2691/4885
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof STING1, CGAS, MAVS L3MBTL1 4124/4885TEAD2 3282/4885CYP1A2 2691/4885

“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.