SCHEMBL4821713

SCHEMBL4821713

Nc1ccc(OCCN2CCOc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
SLC6A4 P31645 1/20 0.47
LTA4H P09960 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KMT2A Q03164 1/20 0.43
TSHR P16473 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GRM5 P41594 1/20 0.40
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39

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
SCHEMBL24398651 0.93 HTR1A (0.47) HTR1ASLC6A4LTA4HPTGS1PTGS2
SCHEMBL5803100 0.84 HTR1A (0.45) HTR1ASLC6A4KMT2ATSHRMAOA
SCHEMBL5107391 0.84 KMT2A (0.43) HTR1ASLC6A4LTA4HKMT2ATSHR
SCHEMBL5428241 0.80 HTR1A (0.42) HTR1ASLC6A4LTA4HKMT2ATSHR
SCHEMBL11212676 0.77 TSHR (0.61) HTR1ASLC6A4KMT2ATSHRMAPT
SCHEMBL5112766 0.77 PPARG (0.49) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL4031991 0.77 CYSLTR2 (0.42) HTR1ASLC6A4LTA4HKMT2ATSHR
SCHEMBL2208731 0.76 HDAC1 (0.53) HTR1ASLC6A4KMT2ATSHRMAPT
SCHEMBL5100830 0.76 PPARA (0.53)
SCHEMBL24398440 0.76 HTT (0.48) HTR1ASLC6A4LTA4HPTGS1PTGS2

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
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
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
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 HTR1A 902/4885SLC6A4 1222/4885LTA4H 1049/4885

“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.