SCHEMBL2004500

SCHEMBL2004500

CCOC(=O)N1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.62
HTR2C P28335 5/20 0.62
ADRA2A P08913 3/20 0.62
DRD2 P14416 3/20 0.62
ADRA2C P18825 3/20 0.62
DRD1 P21728 3/20 0.62
HRH1 P35367 3/20 0.62
DRD3 P35462 3/20 0.62
CHRM2 P08172 1/20 0.62
HTR1A P08908 1/20 0.62
GABRA1 P14867 1/20 0.62
ADRA2B P18089 1/20 0.62
DRD4 P21917 1/20 0.62
SLC6A2 P23975 1/20 0.62
ADRA1D P25100 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
HTR2B P41595 1/20 0.62
HTR3A P46098 1/20 0.62

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
SCHEMBL8006660 1.00 HTR2A (0.62) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12899992 0.89 DPP4 (0.55) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12899988 0.87 DPP4 (0.53) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12503482 0.86 KDM4E (0.48) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12899989 0.86 DPP4 (0.52) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL19256735 0.85 HTR2A (0.58) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12568773 0.84 HTR2A (0.70) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL12413282 0.84 HTR2A (0.70) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL19256086 0.82 HTR2A (0.55) HTR2AHTR2CADRA2ADRD2ADRA2C
SCHEMBL19256257 0.82 HTR2A (0.62) HTR2AHTR2CADRA2ADRD2ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240492-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS ORGANON NV (NL) 2011-10-05 EP disclosed
US-20110166363-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-07-07 US disclosed
US-7964739-B2 Through a stilbene derivative, to a pyrrolidine intermediate, followed by cyclization; asenapine is an antipsychotic agent; industrial scale N.V. ORGANON (NL) 2011-06-21 US disclosed
US-7964739-B2 Through a stilbene derivative, to a pyrrolidine intermediate, followed by cyclization; asenapine is an antipsychotic agent; industrial scale N.V. ORGANON (NL) 2011-06-21 US disclosed
WO-2011012654-A1 HYDROXYASENAPINE COMPOUNDS, DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME N.V. ORGANON (NL) 2011-02-03 WO disclosed
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON 2009-09-10 US disclosed
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON 2009-09-10 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 (2 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-20110166363-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT HTR2A 104/4885HTR2C 25/4885ADRA2A 103/4885
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT HTR2A 104/4885HTR2C 25/4885ADRA2A 103/4885

“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.