SCHEMBL20161332

SCHEMBL20161332

N/N=C(\N)c1nn(CCC(F)(F)C(F)(F)F)c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 15/20 0.39
GUCY1B1 Q02153 15/20 0.39
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR6 P50406 1/20 0.34
HTR3A P46098 1/20 0.34
CFD P00746 1/20 0.33
ATM Q13315 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
SCHEMBL10071129 0.85 GUCY1A1 (0.42) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL13733845 0.85 GUCY1A1 (0.43) GUCY1A1GUCY1B1CNR1CNR2HTR3A
Hydrochloric Acid SCHEMBL20140172 0.84 GUCY1A1 (0.41) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL13734557 0.80 GUCY1A1 (0.39) GUCY1A1GUCY1B1CNR1CNR2HTR3A
Acetic Acid SCHEMBL15065459 0.80 GUCY1A1 (0.46) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL10070141 0.76 GUCY1A1 (0.40) GUCY1A1GUCY1B1
SCHEMBL20161116 0.75 ATM (0.48) GUCY1A1GUCY1B1ATM
SCHEMBL14777070 0.75 CFD (0.38) GUCY1A1GUCY1B1CNR1CNR2HTR3A
SCHEMBL20161260 0.74 PDE5A (0.44) GUCY1A1GUCY1B1
SCHEMBL18999259 0.73 CNR1 (0.38) GUCY1A1GUCY1B1CNR1CNR2HTR3A

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-20220017515-A1 sGC STIMULATORS TISENTO THERAPEUTICS INC. 2022-01-20 US disclosed
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
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 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 (3 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 GUCY1A1 4/4885GUCY1B1 6/4885CNR1 1432/4885
US-20220017515-A1 sGC STIMULATORS GUCY1A2, PRKG1, PDE2A GUCY1A1 4/4885GUCY1B1 6/4885CNR1 1421/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A GUCY1A1 4/4885GUCY1B1 6/4885CNR1 1432/4885

“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.