SCHEMBL12413231

SCHEMBL12413231

CCN(COC)[C@@H](C(=O)OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.40
MMP8 P22894 1/20 0.40
TACR3 P29371 1/20 0.39
HPGD P15428 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
SCHEMBL2003394 0.84 KMT2A (0.45) NR1H2NR1H3KMT2ALMNATSHR
SCHEMBL2003396 0.84 KMT2A (0.45) NR1H2NR1H3KMT2ALMNATSHR
SCHEMBL19933138 0.78 NR1H2 (0.44) NR1H2NR1H3KMT2ALMNACYP1A2
SCHEMBL8024263 0.78 MMP8 (0.51) KMT2ALMNACYP1A2CYP2D6TSHR
SCHEMBL12413224 0.75 OPRD1 (0.43) NR1H2NR1H3KMT2ALMNACYP1A2
SCHEMBL6639945 0.75 KMT2A (0.60) NR1H2NR1H3KMT2ALMNATSHR
SCHEMBL28024406 0.75 ATM (0.51) NR1H2NR1H3KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL28024368 0.74 ATM (0.50) NR1H2NR1H3KMT2ALMNACYP1A2
SCHEMBL18117369 0.74 PGR (0.47) NR1H2NR1H3LMNACYP1A2CYP2D6
SCHEMBL30337118 0.73 PGR (0.50) NR1H2NR1H3LMNACYP1A2CYP2D6

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 NR1H2 1244/4885NR1H3 1368/4885KMT2A 1335/4885

“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.