SCHEMBL9995153

SCHEMBL9995153

CCOC(=O)CN(C)OCc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
TSPO P30536 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL14636285 0.77 NPSR1 (0.44) NPSR1L3MBTL1GAASLC6A4MAPT
SCHEMBL27894789 0.70 CAMK2A (0.70) PPARGPPARDPPARACAMK2APTGDR2
SCHEMBL9995320 0.70 SLC6A4 (0.52) PPARAHTR2ASLC6A4KCNH2MAPT
SCHEMBL27895144 0.69 CAMK2A (0.56) PPARGPPARDPPARATSPOCAMK2A
SCHEMBL10093029 0.69 L3MBTL1 (0.44) NPSR1L3MBTL1GAAHTR2ASLC6A4
SCHEMBL5990380 0.69 PPARG (0.64) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL21723045 0.68 CYP1A2 (0.53) CAMK2ANPSR1L3MBTL1GAAHTR2A
SCHEMBL1146416 0.66 HTR2A (0.54) PPARAPTGDR2HTR2ASLC6A4MAPT
SCHEMBL5417843 0.66 SLC6A4 (0.47) NPSR1PTGDR2L3MBTL1HTR2ASLC6A4
SCHEMBL12929644 0.66 CYP1A2 (0.57) PPARGPPARDPPARAHTR2ASLC6A4

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-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 US disclosed
US-20130211099-A1 ASENAPINE MALEATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-15 US disclosed
EP-2582704-A2 ASENAPINE MALEATE Dr. Reddy's Laboratories Ltd. (IN) 2013-04-24 EP disclosed
WO-2011159903-A2 ASENAPINE MALEATE DR. REDDY'S LABORATORIES LTD. (IN) 2011-12-22 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-20130211099-A1 ASENAPINE MALEATE CYP3A5, AANAT, ADRA2C PPARG 2193/4885PPARD 2105/4885PPARA 3069/4885

“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.