SCHEMBL6924398

SCHEMBL6924398

CCCCCCNC(=O)OC[N+]1(C)CC2c3ccccc3Oc3ccc(Cl)cc3C2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HRH2 P25021 1/20 0.43
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
GABRA1 P14867 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL12438721 0.99 KMT2A (0.47) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL12412869 0.89 HRH2 (0.47) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL6923347 0.88 HRH2 (0.44) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL19256099 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL12413673 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL12516914 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL6924697 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL12413650 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL19256739 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2
SCHEMBL12516915 0.87 HRH2 (0.46) KMT2AMEN1HRH2MAPTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521711-B1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2017-08-16 EP disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084851-A1 ASENAPINE PRODURUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 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-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B KMT2A 1802/4885MEN1 2381/4885HRH2 1364/4885

“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.