SCHEMBL5516529

SCHEMBL5516529

CCC(N)(C#N)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.44
TACR1 P25103 3/20 0.39
IDO1 P14902 1/20 0.37
MAOB P27338 1/20 0.37
AGXT P21549 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 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
SCHEMBL5529079 0.80 KDM4E (0.53) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL9584084 0.78 SLC6A2 (0.50) MAOBSLC6A2TAAR1LMNA
SCHEMBL26688783 0.77 TSHR (0.47) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL3301730 0.76 TSHR (0.50) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL3338802 0.76 TSHR (0.50) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL5180805 0.75 KDM4E (0.54) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL6531372 0.73 KDM4E (0.61) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL29108931 0.73 KDM4E (0.61) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL10172486 0.73 TSHR (0.56) KDM4EPOLBTSHRTACR1IDO1
SCHEMBL21408338 0.73 KDM4E (0.78) KDM4EPOLBTSHRTACR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
CN-1938323-A Silinane compounds as cysteine protease inhibitors SCHERING AG (DE) 2007-03-28 CN disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 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-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS KDM4E 2557/4885POLB 1545/4885TSHR 4821/4885

“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.