SCHEMBL21775366

SCHEMBL21775366

O=C(OCC(F)(F)F)C1CNC1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
FABP7 O15540 1/20 0.37
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2C P28335 1/20 0.31
ELANE P08246 1/20 0.31
CAPN1 P07384 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2990517 0.84 CHRNB2 (0.53) HTTFABP7CHRNB2CHRNA4CHRNB4
SCHEMBL5319074 0.79 HTT (0.46) HTTFABP7ALDH1A1MAPTTP53
SCHEMBL5793024 0.79 HTT (0.46) HTTFABP7ALDH1A1MAPTTP53
Trifluoroacetic Acid SCHEMBL21640207 0.77 MAPT (0.38) ALDH1A1MAPTKDM4E
SCHEMBL13526597 0.76 FABP7 (0.40) HTTFABP7ALDH1A1MAPTTP53
SCHEMBL1161555 0.75
SCHEMBL2051184 0.74 ALDH1A1 (0.47) HTTFABP7ALDH1A1TP53GAA
Hydrochloric Acid SCHEMBL1867546 0.74 MAPT (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5794818 0.73 FABP7 (0.47) HTTFABP7ALDH1A1MAPTTP53
SCHEMBL10641156 0.73

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-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A HTT 4098/4885FABP7 3014/4885CHRNB2 1085/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A HTT 4098/4885FABP7 3014/4885CHRNB2 1085/4885

“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.