SCHEMBL17317845

SCHEMBL17317845

FC(F)(F)c1nn(CCc2ccccc2)c2c1CCNC2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
POLQ O75417 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA2 P42262 1/20 0.38
LMNA P02545 1/20 0.37
AADAT Q8N5Z0 1/20 0.36

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
Hydrochloric Acid SCHEMBL19097285 0.99 POLB (0.41) POLBHTR7HTR1AHTR2APOLQ
SCHEMBL17317624 0.88 HTR7 (0.54) POLBHTR7HTR1AHTR2APOLQ
Hydrochloric Acid SCHEMBL19097303 0.86 HTR7 (0.53) POLBHTR7HTR1AHTR2APOLQ
SCHEMBL19110592 0.81 HTR7 (0.41) HTR7HTR1AHTR2A
SCHEMBL17317710 0.79 GRIA2 (0.45) POLBHTR7HTR1AHTR2AALDH1A1
Hydrochloric Acid SCHEMBL19097284 0.78 GRIA2 (0.44) POLBHTR7HTR1AHTR2AALDH1A1
SCHEMBL17317603 0.78 HTR7 (0.51) POLBHTR7HTR1AHTR2ACYP2C9
SCHEMBL17317694 0.77 POLB (0.39) POLBHTR7HTR1AHTR2APOLQ
SCHEMBL17317543 0.77 HTR2C (0.53) HTR7HTR1AHTR2AALDH1A1CYP2C9
SCHEMBL17317842 0.77 GRIA2 (0.45) HTR7HTR1AHTR2AGRIA2LMNA

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-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO 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 POLB 4390/4885HTR7 755/4885HTR1A 130/4885

“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.