SCHEMBL2005987

SCHEMBL2005987

COC(=O)[C@@H](c1ccccc1)N(C)[Si](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
TACR3 P29371 1/20 0.47
ROCK2 O75116 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A3 Q01959 2/20 0.40
ELANE P08246 2/20 0.40
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.39
GLS O94925 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
SCHEMBL6639945 0.82 KMT2A (0.60) KMT2ATACR3ROCK2NR1H2NR1H3
SCHEMBL2484481 0.78 ROCK2 (0.58) KMT2ATACR3ROCK2NR1H2NR1H3
SCHEMBL2484483 0.78 ROCK2 (0.58) KMT2ATACR3ROCK2NR1H2NR1H3
SCHEMBL14872103 0.75 KMT2A (0.51) KMT2ATACR3ROCK2NR1H2NR1H3
SCHEMBL5286492 0.75 KMT2A (0.51) KMT2ATACR3ROCK2NR1H2NR1H3
SCHEMBL3598733 0.74 KMT2A (0.69) KMT2AMEN1ALDH1A1PTGS1PTGS2
SCHEMBL2003396 0.73 KMT2A (0.45) KMT2ATACR3ROCK2NR1H2NR1H3
SCHEMBL2003394 0.73 KMT2A (0.45) KMT2ATACR3ROCK2NR1H2NR1H3
Ammonia Solution, Strong SCHEMBL27830689 0.72 KMT2A (0.67) KMT2AMEN1ALDH1A1PTGS1PTGS2
SCHEMBL1096980 0.72 KMT2A (0.47) KMT2ATACR3ROCK2NR1H2NR1H3

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 KMT2A 1335/4885TACR3 610/4885ROCK2 1421/4885
US-20090227803-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT KMT2A 1335/4885TACR3 610/4885ROCK2 1421/4885

“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.