SCHEMBL12413601

SCHEMBL12413601

C[N+]1(COC(=O)CO)CC2c3ccccc3Oc3ccc(Cl)cc3C2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.49
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HRH1 P35367 4/20 0.49
ADRA2A P08913 3/20 0.49
DRD2 P14416 3/20 0.49
ADRA2C P18825 3/20 0.49
DRD1 P21728 3/20 0.49
DRD3 P35462 3/20 0.49
CHRM2 P08172 2/20 0.49
KCNH2 Q12809 2/20 0.49
HTR1A P08908 1/20 0.49
GABRA1 P14867 1/20 0.49
ADRA2B P18089 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1D P25100 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL12413542 0.92 HRH2 (0.49) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12413606 0.91 HRH2 (0.49) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12412872 0.91 HRH2 (0.48) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12413532 0.90 HTR2A (0.52) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12413537 0.89 HRH2 (0.47) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12413540 0.88 HRH2 (0.46) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12413636 0.88 HRH2 (0.49) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12413650 0.87 HRH2 (0.46) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL12516914 0.87 HRH2 (0.46) HRH2HTR2AHTR2CHRH1ADRA2A
SCHEMBL6924697 0.87 HRH2 (0.46) HRH2HTR2AHTR2CHRH1ADRA2A

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
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US 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 (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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 HRH2 631/4885HTR2A 2054/4885HTR2C 2279/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B HRH2 1364/4885HTR2A 380/4885HTR2C 617/4885

“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.