SCHEMBL10198353

SCHEMBL10198353

[2H]C(C)(C)Oc1ncccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
SLC6A4 P31645 3/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
NFE2L2 Q16236 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
DRD1 P21728 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10198277 0.89 NFE2L2 (0.35) HTR1AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL364773 0.85 ATM (0.43) HTR1AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL7000039 0.81 NFE2L2 (0.39) HTR1AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL366575 0.77 MKNK2 (0.39) HTR1AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL364648 0.77 MKNK2 (0.39) HTR1AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL10198435 0.77 MKNK2 (0.39) HTR1AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL363458 0.77 TRPV4 (0.57) HTR1ASLC6A4NFE2L2TRPV4SLC6A2
SCHEMBL31348081 0.77 TRPV4 (0.57) HTR1ASLC6A4NFE2L2TRPV4SLC6A2
SCHEMBL10324150 0.74 CCR4 (0.40) HTR1ASLC6A4NFE2L2SLC6A2SLC6A3
SCHEMBL1690288 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A HTR1A 253/4885ADRA2A 2260/4885ADRA2B 2120/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A HTR1A 170/4885ADRA2A 1936/4885ADRA2B 1813/4885

“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.