SCHEMBL1964300

SCHEMBL1964300

CC(C)N(C(=O)O)c1ccc2[nH]nc(C(=O)N[C@H]3CN4CCC3CC4)c2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.63
HTR3A P46098 2/20 0.63
DYRK1A Q13627 13/20 0.46
WNT1 P04628 4/20 0.44
GSK3B P49841 7/20 0.44

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
SCHEMBL12059966 0.87 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1965159 0.87 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL12315101 0.84 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1963062 0.84 CHRNA7 (0.63) CHRNA7HTR3ADYRK1AWNT1GSK3B
Formic Acid SCHEMBL1966715 0.83 CHRNA7 (0.65) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1966473 0.82 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AWNT1
SCHEMBL15199691 0.81 CHRNA7 (0.74) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1965825 0.81 CHRNA7 (0.74) CHRNA7HTR3ADYRK1AWNT1GSK3B
SCHEMBL1964878 0.80 CHRNA7 (0.76) CHRNA7HTR3ADYRK1AWNT1
SCHEMBL5996566 0.80 CHRNA7 (0.76) CHRNA7HTR3ADYRK1AWNT1

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-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP 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-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885HTR3A 352/4885DYRK1A 2487/4885

“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.