SCHEMBL9995323

SCHEMBL9995323

CCC(C(=O)O)N(C)C(=O)Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.52
SLC6A4 P31645 4/20 0.51
SLC6A2 P23975 3/20 0.51
HTR2A P28223 2/20 0.51
SLC6A3 Q01959 2/20 0.51
SLC1A5 Q15758 2/20 0.50
NPY5R Q15761 2/20 0.43
CHRM1 P11229 1/20 0.42
PPARG P37231 3/20 0.41
CXCL8 P10145 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TSPO P30536 1/20 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
SCHEMBL28801696 0.86 PPARA (0.54) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL8471261 0.81 SLC6A4 (0.58) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL9995320 0.78 SLC6A4 (0.52) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL872624 0.77 SLC6A4 (0.53) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL872958 0.76 CXCL8 (0.67) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL1146416 0.75 HTR2A (0.54) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL12361548 0.75 SLC6A4 (0.54) PPARASLC6A4SLC6A2HTR2ASLC6A3
Ammonia Solution, Strong SCHEMBL872909 0.75 CHRM1 (0.65) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL13474499 0.74 SLC6A4 (0.53) PPARASLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL27912315 0.74 SLC6A2 (0.56) PPARASLC6A4SLC6A2SLC6A3SLC1A5

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 PPARA 3069/4885SLC6A4 17/4885SLC6A2 14/4885

“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.