SCHEMBL5171096

SCHEMBL5171096

COC(=O)C1(Cc2cccc(Br)c2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ MAOB P27338 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL31266306 0.87 KMT2A (0.41) MEN1KMT2AL3MBTL1MAOBLMNA
SCHEMBL27350053 0.86 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL30683845 0.83 SSTR4 (0.48) MEN1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL31266021 0.81 KMT2A (0.39) MEN1KMT2AL3MBTL1CYP2C9CYP2C19
SCHEMBL30683842 0.80 TACR1 (0.48) MEN1KMT2ALMNAKDM4ENPC1
SCHEMBL28840825 0.79 CYP4F2 (0.42) KMT2AL3MBTL1HPGDKDM4ENPC1
SCHEMBL4907162 0.79 TACR1 (0.47) MEN1KMT2ALMNAKDM4ENPC1
SCHEMBL1177978 0.79 CTSB (0.43) MEN1KMT2AL3MBTL1MAOBALDH1A1
SCHEMBL30750095 0.78 MEN1 (0.42) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL7408202 0.78 NPC1 (0.37) MEN1KMT2AL3MBTL1LMNANPC1

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-1673336-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2014-06-04 — — EP disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 — — US disclosed
EP-1673336-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-05-30 — — EP disclosed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 — — US disclosed
EP-1673336-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-06-28 — — EP disclosed
WO-2005019161-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-03 — — 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 (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-20060287373-A1 Cathepsin cysteine protease inhibitors CTSE, CTSS, CTSB MEN1 2988/4885KMT2A 4202/4885L3MBTL1 454/4885

“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.

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