SCHEMBL19110601

SCHEMBL19110601

Cc1nn(Cc2cccc(F)c2)c2c1CCNC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
ALK Q9UM73 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ROCK2 O75116 1/20 0.38
DBH P09172 1/20 0.38
GRM2 Q14416 1/20 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
SCHEMBL19110586 0.86 SLC2A1 (0.48) HTR7
SCHEMBL19110591 0.86 HTR7 (0.54) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL17317710 0.83 GRIA2 (0.45) ALDH1A1SMN1; SMN2HTR7HTR1AHTR2A
Hydrochloric Acid SCHEMBL19097284 0.82 GRIA2 (0.44) ALDH1A1SMN1; SMN2HTR7HTR1AHTR2A
SCHEMBL19110655 0.82 HTR7 (0.43) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL19110600 0.81 HTR7 (0.43) ALDH1A1SMN1; SMN2HTR7HTR1AHTR2A
SCHEMBL19110587 0.80 HTR7 (0.53) SMN1; SMN2HTR7HTR1AHTR2AHTR2C
SCHEMBL19110602 0.79 CYP1A2 (0.40) ALDH1A1HTR7HTR1AHTR2AHTR2C
SCHEMBL19110592 0.76 HTR7 (0.41) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL19110593 0.75 HTR7 (0.39) HTR7HTR1AHTR2AGRM2

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 ALDH1A1 4081/4885SMN1; SMN2 119/4885HTR7 755/4885

“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.