SCHEMBL12413240

SCHEMBL12413240

COc1ccc(CN2C[C@H](c3cc(Cl)ccc3O)[C@@H](c3ccccc3Br)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAOA P21397 2/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
PDGFRA P16234 1/20 0.36
ROCK1 Q13464 1/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
ERCC1 P07992 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2008031 0.91 MEN1 (0.45) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL2008033 0.91 MEN1 (0.45) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL7997087 0.91 MEN1 (0.45) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL2008028 0.91 MEN1 (0.45) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL2006344 0.87 DRD2 (0.42) L3MBTL1MEN1KMT2AMAOADRD2
SCHEMBL8010511 0.87 DRD2 (0.42) L3MBTL1MEN1KMT2AMAOADRD2
SCHEMBL2006348 0.87 DRD2 (0.42) L3MBTL1MEN1KMT2AMAOADRD2
SCHEMBL2006342 0.87 DRD2 (0.42) L3MBTL1MEN1KMT2AMAOADRD2
SCHEMBL12413234 0.87 CARM1 (0.42) KMT2AMAOAMAOBDRD2DRD3
SCHEMBL2004621 0.84 MEN1 (0.44) L3MBTL1MEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 S1PR1 807/4885S1PR5 182/4885L3MBTL1 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.