SCHEMBL2006348

SCHEMBL2006348

COc1ccc(CN2C[C@@H](c3cc(Cl)ccc3O)[C@H](c3ccccc3Br)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOA P21397 1/20 0.41
HRH2 P25021 1/20 0.40
DPP4 P27487 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD4 P21917 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
SCHEMBL8010511 1.00 DRD2 (0.42) DRD2DRD3KCNH2MCHR1SIGMAR1
SCHEMBL2006344 1.00 DRD2 (0.42) DRD2DRD3KCNH2MCHR1SIGMAR1
SCHEMBL2006342 1.00 DRD2 (0.42) DRD2DRD3KCNH2MCHR1SIGMAR1
SCHEMBL2004381 0.88 DRD2 (0.51) DRD2DRD3SIGMAR1MEN1KMT2A
SCHEMBL8007171 0.88 DRD2 (0.51) DRD2DRD3SIGMAR1MEN1KMT2A
SCHEMBL2004378 0.88 DRD2 (0.51) DRD2DRD3SIGMAR1MEN1KMT2A
SCHEMBL2004384 0.88 DRD2 (0.51) DRD2DRD3SIGMAR1MEN1KMT2A
SCHEMBL12413240 0.87 S1PR1 (0.39) DRD2DRD3MEN1KMT2AMAOA
SCHEMBL2008031 0.87 MEN1 (0.45) MEN1KMT2AL3MBTL1
SCHEMBL7997087 0.87 MEN1 (0.45) MEN1KMT2AL3MBTL1

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
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
EP-2240492-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. Organon (NL) 2010-10-20 EP 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
WO-2009087058-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2009-07-16 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 (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 DRD2 22/4885DRD3 172/4885KCNH2 220/4885
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT DRD2 22/4885DRD3 172/4885KCNH2 220/4885

“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.