SCHEMBL696669

SCHEMBL696669

O=C(O)C1(c2ccc(Br)c3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.42
HTR6 P50406 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PRNP P04156 1/20 0.39
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
EPHX1 P07099 2/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
CYP2C9 P11712 1/20 0.35
HDAC4 P56524 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.33

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
SCHEMBL30505085 0.78 AKR1C1 (0.52) AKR1C1KMT2AHDAC4
SCHEMBL6541 0.78 AKR1C1 (0.52) AKR1C1KMT2AHDAC4
SCHEMBL697151 0.75 AKR1C1 (0.48) AKR1C1KMT2AMEN1CYP2C9
SCHEMBL8107105 0.73 AKR1C1 (0.55) AKR1C1KMT2AMEN1LMNAHDAC4
SCHEMBL8112531 0.70 AKR1C1 (0.52) AKR1C1HDAC4
SCHEMBL31446701 0.70 SLC22A12 (0.52) AKR1C1
SCHEMBL350775 0.70 SLC22A12 (0.52) AKR1C1
SCHEMBL15108974 0.70 AKR1C1 (0.55) AKR1C1KMT2AMEN1LMNAL3MBTL1
SCHEMBL30991214 0.69 HDAC4 (0.46) AKR1C1APPCYP2C9HDAC4
SCHEMBL6023088 0.68 AKR1C1 (0.48) AKR1C1KMT2ALMNAL3MBTL1HDAC4

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
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
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 444/4885HTR6 2170/4885RXFP1 103/4885

“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.