SCHEMBL19110586

SCHEMBL19110586

Cc1nn(Cc2ccc(F)cc2)c2c1CCNC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR7 P34969 1/20 0.41

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
SCHEMBL19110600 0.89 HTR7 (0.43) HTR7
SCHEMBL19110587 0.88 HTR7 (0.53) HTR7
SCHEMBL19110591 0.86 HTR7 (0.54) HTR7
SCHEMBL19110601 0.86 ALDH1A1 (0.42) HTR7
SCHEMBL19110655 0.85 HTR7 (0.43) HTR7
SCHEMBL19110606 0.85 KCNH2 (0.40) KCNH2SIGMAR1HTR7
SCHEMBL17328162 0.84 KCNH2 (0.40) SLC2A1KCNH2SIGMAR1HTR7
Hydrochloric Acid SCHEMBL17317664 0.83 KCNH2 (0.39) SLC2A1KCNH2SIGMAR1HTR7
SCHEMBL17328065 0.82 KCNH2 (0.40) KCNH2SIGMAR1HTR7
SCHEMBL17328106 0.82 KCNH2 (0.40) KCNH2SIGMAR1HTR7

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-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 SLC2A1 2910/4885KCNH2 1886/4885SIGMAR1 2505/4885

“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.