SCHEMBL20204670

SCHEMBL20204670

CC(C)Cc1ncc(Cc2ccc(O)cc2)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.49
GPR84 Q9NQS5 1/20 0.42
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL21707859 0.86 CAPN1 (0.66) CAPN1
SCHEMBL21707884 0.81 CAPN1 (0.74) CAPN1GPR84ESR1ESR2
SCHEMBL20204597 0.81 CAPN1 (0.55) CAPN1GPR84
SCHEMBL16431613 0.79 DAO (0.42) CAPN1GPR84PDE3BPDE3A
SCHEMBL21707855 0.74 CAPN1 (0.53) CAPN1GPR84ESR1ESR2
SCHEMBL20204711 0.70 CAPN1 (0.63) CAPN1TAAR1
SCHEMBL21707860 0.70 AHR (0.48) CAPN1GPR84SLC6A2
SCHEMBL21707862 0.69 CAPN1 (0.61) CAPN1TAAR1
SCHEMBL29884027 0.68 HRH2 (0.45) CAPN1
SCHEMBL10567513 0.68 ESR1 (0.45) CAPN1ESR1ESR2TAAR1SLC6A2

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
CN-118852341-A Cyclic dipeptide compound with pyrazinone ring, and preparation method and application thereof 南京大学 2024-10-29 CN disclosed
US-20240294581-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN IN PROTEASE INHIBITORS AND ANALOGS THEREOF UNIV YALE (US) 2024-09-05 US disclosed
US-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof YALE UNIVERSITY (US) 2024-02-27 US disclosed
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 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-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof LPXN, LAP3, PEPD CAPN1 895/4885GPR84 4124/4885ESR1 1014/4885
US-20240294581-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN IN PROTEASE INHIBITORS AND ANALOGS THEREOF LPXN, LAP3, PEPD CAPN1 1044/4885GPR84 4104/4885ESR1 1064/4885
US-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CAPN1 81/4885GPR84 3992/4885ESR1 1853/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885GPR84 3992/4885ESR1 1853/4885

“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.