SCHEMBL5561748

SCHEMBL5561748

CCOC(=O)c1nn(C(C)C)c(Oc2cc(Cl)cc(Cl)c2)c1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPBWR1 P48145 1/20 0.36
ELANE P08246 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL5562351 0.92 MAPT (0.41) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5562694 0.90 MAPT (0.40) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL14454015 0.88 MAPT (0.39) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5556234 0.87 MAPT (0.38) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL14454007 0.85 MAPT (0.41) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL14454016 0.85 ALDH1A1 (0.47) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5561349 0.85 MAPT (0.41) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL14454006 0.84 MAPT (0.41) MAPTL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5555856 0.82 MAPT (0.37) MAPTL3MBTL1KDM4EALDH1A1HTT
SCHEMBL5560714 0.82 ALDH1A1 (0.44) MAPTKDM4EALDH1A1ELANEADORA1

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-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
EP-1597235-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-23 EP disclosed
US-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 US disclosed
WO-2004074257-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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-20040192666-A1 Nonnucleoside reverse transcriptase inhibitors POLRMT, RRM2B, RRM2 MAPT 1763/4885L3MBTL1 1489/4885KDM4E 2175/4885

“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.