SCHEMBL801036

SCHEMBL801036

COC(=O)CCCCOc1cccn2c(=O)c(CCO)c(C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42
GUCY1B2 O75343 8/20 0.41
GUCY1A2 P33402 8/20 0.41
GUCY1A1 Q02108 8/20 0.41
GUCY1B1 Q02153 8/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
CYP1A2 P05177 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
SCHEMBL7149054 0.81 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL3702932 0.77 ATP4A (0.64) ADRA2AADRA2BADRA2CADRA1APSEN1
SCHEMBL8322317 0.76 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1APSEN1
SCHEMBL900661 0.73 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL3422321 0.72 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL795384 0.68 ATP4A (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6871464 0.68 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL8131625 0.68 ATP4A (0.60) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL14570540 0.66 PPARG (0.56) CYP1A2CYP3A4CYP2C19PPARGCNR2
SCHEMBL7290793 0.66 KDM4E (0.39) ADRA2AADRA2BADRA2CADRA1AGUCY1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245241-A1 Risperidone Immunoassay SALADAX BIOMEDICAL INC. (US) 2013-09-19 US disclosed
US-20130245241-A1 Risperidone Immunoassay SALADAX BIOMEDICAL INC. (US) 2013-09-19 US disclosed
US-8450461-B2 Risperidone immunoassay SALADAX BIOMEDICAL INC. (US) 2013-05-28 US disclosed
US-8450461-B2 Risperidone immunoassay SALADAX BIOMEDICAL INC. (US) 2013-05-28 US disclosed
US-20120071636-A1 RISPERIDONE IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2012-03-22 US disclosed
US-20120071636-A1 RISPERIDONE IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2012-03-22 US disclosed
US-8088594-B2 Risperidone immunoassay SALADAX BIOMEDICAL INC. (US) 2012-01-03 US disclosed
US-8088594-B2 Risperidone immunoassay SALADAX BIOMEDICAL INC. (US) 2012-01-03 US disclosed
US-20110229979-A1 RISPERIDONE IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2011-09-22 US disclosed
US-20110229979-A1 RISPERIDONE IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2011-09-22 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 (3 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-20110229979-A1 RISPERIDONE IMMUNOASSAY PRLHR, PA2G4, PRSS12 ADRA2A 646/4885ADRA2B 598/4885ADRA2C 706/4885
US-20120071636-A1 RISPERIDONE IMMUNOASSAY PRLHR, PA2G4, PRSS12 ADRA2A 646/4885ADRA2B 598/4885ADRA2C 706/4885
US-20130245241-A1 Risperidone Immunoassay PRLHR, PA2G4, PRSS12 ADRA2A 646/4885ADRA2B 598/4885ADRA2C 706/4885

“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.