SCHEMBL4925746

SCHEMBL4925746

CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccncc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ RXFP1 Q9HBX9 4/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GLA P06280 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL4026847 0.79 RXFP1 (0.61) GAARXFP1MAPTKDM4ECYP2C19
SCHEMBL4918922 0.77 MAPK13 (0.54) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL4929202 0.76 KDM4E (0.65) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL4031125 0.75 SMN1; SMN2 (0.55) RXFP1MAPTKDM4ENPC1TSHR
SCHEMBL622871 0.74 CDC7 (0.63) ALDH1A1HPGDHSD17B10
SCHEMBL1648624 0.72 MAPT (0.64) GAAMAPTKDM4ECYP2C19ALDH1A1
SCHEMBL13595569 0.72 TDP1 (0.71) GAAMAPTKDM4ENPC1TSHR
SCHEMBL12204641 0.70 KDM4E (0.69) GAAMAPTKDM4ETSHRALDH1A1
SCHEMBL20981274 0.70 NPC1 (0.65) GAAMAPTKDM4ECYP2C19NPC1
SCHEMBL4923412 0.70 MAPT (0.61) MAPTKDM4ECYP2C19NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 — — EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN GAA 584/4885RXFP1 1381/4885MAPT 1904/4885

“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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