SCHEMBL15467772

SCHEMBL15467772

Clc1ccc(C(OC2CCNCC2)c2ccccn2)cc1.Clc1ccc(C(OC2CCNCC2)c2ccccn2)cc1.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SLC6A4 P31645 4/20 0.40
CHRM2 P08172 3/20 0.40
ADRA2B P18089 3/20 0.40
SLC6A2 P23975 3/20 0.40
HRH1 P35367 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 6/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38

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
SCHEMBL20898696 1.00 POLB (0.43) POLBSLC6A4CHRM2ADRA2BSLC6A2
SCHEMBL20898695 1.00 POLB (0.43) POLBSLC6A4CHRM2ADRA2BSLC6A2
SCHEMBL20898694 1.00 POLB (0.43) POLBSLC6A4CHRM2ADRA2BSLC6A2
Cadaverine Tartrate SCHEMBL20898278 0.86 POLB (0.45) POLBSLC6A4CHRM2ADRA2BSLC6A2
Cadaverine Tartrate SCHEMBL8638485 0.86 POLB (0.45) POLBSLC6A4CHRM2ADRA2BSLC6A2
Cadaverine Tartrate SCHEMBL20898382 0.86 POLB (0.45) POLBSLC6A4CHRM2ADRA2BSLC6A2
Cadaverine Tartrate SCHEMBL20898277 0.86 POLB (0.45) POLBSLC6A4CHRM2ADRA2BSLC6A2
SCHEMBL1499960 0.86 SLC6A4 (0.49) POLBSLC6A4CHRM2ADRA2BSLC6A2
SCHEMBL2805296 0.86 SLC6A4 (0.49) POLBSLC6A4CHRM2ADRA2BSLC6A2
SCHEMBL2803588 0.86 SLC6A4 (0.49) POLBSLC6A4CHRM2ADRA2BSLC6A2

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-20140046068-A1 METHOD OF SYNTHESIZING BEPOTASTINE OR BENZENESULFONIC ACID SALT THEREOF AND INTERMEDIATES USED THEREIN EVERLIGHT USA, INC. (US) 2014-02-13 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-20140046068-A1 METHOD OF SYNTHESIZING BEPOTASTINE OR BENZENESULFONIC ACID SALT THEREOF AND INTERMEDIATES USED THEREIN CYP7A1, HRH3, HRH2 POLB 1678/4885SLC6A4 1680/4885CHRM2 1378/4885

“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.