SCHEMBL2004624

SCHEMBL2004624

COc1ccccc1CN1C[C@@H](c2cc(Cl)ccc2O)[C@H](c2ccccc2Br)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
EED O75530 1/20 0.41
MAPT P10636 1/20 0.39
COMT P21964 1/20 0.39
KCNH2 Q12809 1/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
DRD4 P21917 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2004621 1.00 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2004623 1.00 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8012527 1.00 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7997087 0.90 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2008031 0.90 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2008033 0.90 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2008028 0.90 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12413234 0.86 CARM1 (0.42) KMT2AKDM4ELMNADRD1DRD5
SCHEMBL2006344 0.84 DRD2 (0.42) MEN1KMT2AKCNH2DRD4L3MBTL1
SCHEMBL8010511 0.84 DRD2 (0.42) MEN1KMT2AKCNH2DRD4L3MBTL1

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 1335/4885KDM4E 315/4885
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT MEN1 4096/4885KMT2A 1335/4885KDM4E 315/4885

“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.