SCHEMBL2008028

SCHEMBL2008028

COc1ccc(CN2CC(c3cc(Cl)ccc3O)C(c3ccccc3Br)C2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
F2 P00734 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
SCHEMBL7997087 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2008031 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2008033 1.00 MEN1 (0.45) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL12413240 0.91 S1PR1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL2004621 0.90 MEN1 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2004623 0.90 MEN1 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2004624 0.90 MEN1 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL8012527 0.90 MEN1 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2006344 0.87 DRD2 (0.42) MEN1KMT2AL3MBTL1
SCHEMBL8010511 0.87 DRD2 (0.42) 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 MEN1 4096/4885KMT2A 1335/4885L3MBTL1 4679/4885
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT MEN1 4096/4885KMT2A 1335/4885L3MBTL1 4679/4885

“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.