SCHEMBL4820171

SCHEMBL4820171

CCOC(Cc1ccc(NCCCCC(=O)N2CCOc3ccccc32)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 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
Arginine SCHEMBL4820167 0.91 RAB9A (0.42) RAB9AL3MBTL1GAAMAPTALDH1A1
Arginine SCHEMBL4820161 0.91 RAB9A (0.42) RAB9AL3MBTL1GAAMAPTALDH1A1
SCHEMBL4826323 0.89 PPARG (0.37) MAPTRXFP1LMNAPPARGPPARA
SCHEMBL4824348 0.88 PPARG (0.38) RAB9AMAPTRXFP1LMNAPPARG
SCHEMBL1867257 0.84 MAPT (0.46) RAB9AL3MBTL1GAAMAPTALDH1A1
SCHEMBL4817691 0.83 GAA (0.40) RAB9AL3MBTL1GAAMAPTALDH1A1
SCHEMBL1865225 0.82 PPARG (0.50) RAB9AL3MBTL1GAAMAPTALDH1A1
SCHEMBL4824935 0.82 TSHR (0.34) RAB9AL3MBTL1GAAMAPTRXFP1
SCHEMBL4822383 0.82 PPARG (0.43) MAPTRXFP1LMNAPPARGPPARA
SCHEMBL4867157 0.82 PPARG (0.45) MAPTRXFP1LMNAPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 RAB9A 3400/4885L3MBTL1 4671/4885GAA 333/4885

“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.