SCHEMBL697151

SCHEMBL697151

O=C(O)C1(c2cccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
SLC6A3 Q01959 6/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 4/20 0.44
TDP1 Q9NUW8 1/20 0.42
CXCR5 P32302 1/20 0.41
CDC25B P30305 1/20 0.41
KIF11 P52732 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
WDR5 P61964 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8112531 0.95 AKR1C1 (0.52) AKR1C1NR4A1NR4A2NR4A3SLC6A3
SCHEMBL29237880 0.89 ALDH1A1 (0.44) AKR1C1NR4A1NR4A2NR4A3SLC6A3
SCHEMBL11825841 0.89 AKR1C1 (0.42) AKR1C1NR4A1NR4A2NR4A3SLC6A3
SCHEMBL30344677 0.84 SLC6A3 (0.42) NR4A1NR4A2NR4A3SLC6A3SLC6A4
SCHEMBL8747018 0.84 SLC6A3 (0.42) NR4A1NR4A2NR4A3SLC6A3SLC6A4
SCHEMBL12020292 0.79 SLC6A3 (0.46) NR4A1NR4A2NR4A3SLC6A3SLC6A4
SCHEMBL8106448 0.79 SLC6A3 (0.45) AKR1C1NR4A1NR4A2NR4A3SLC6A3
SCHEMBL23972286 0.78 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2TDP1KIF11
SCHEMBL30604359 0.78 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2TDP1KIF11
SCHEMBL27926942 0.77 SLC6A3 (0.53) AKR1C1SLC6A3SLC6A4SLC6A2KIF11

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
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
CN-1045291-C Therapeutic agents BOOTS CO PLC (GB) 1999-09-29 CN disclosed
EP-0618900-B1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AG (DE) 1997-03-12 EP disclosed
US-5519034-A ANALGESICS THE BOOTS COMPANY PLC (GB) 1996-05-21 US disclosed
EP-0618900-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. BOOTS CO PLC (GB) 1994-10-12 EP disclosed
WO-1993013073-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 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 (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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 AKR1C1 444/4885NR4A1 3697/4885NR4A2 3583/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD AKR1C1 2897/4885NR4A1 3567/4885NR4A2 4104/4885

“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.