SCHEMBL1966473

SCHEMBL1966473

O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccc(N(Cc3ccccc3)C(=O)O)cc12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.66
HTR3A P46098 5/20 0.66
DYRK1A Q13627 3/20 0.46
WNT1 P04628 1/20 0.46
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42

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
SCHEMBL1963062 0.84 CHRNA7 (0.63) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL12059966 0.83 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL1965159 0.83 CHRNA7 (0.70) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL12315101 0.83 CHRNA7 (0.66) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL1964300 0.82 CHRNA7 (0.63) CHRNA7HTR3ADYRK1AWNT1
SCHEMBL1964044 0.81 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL261115 0.81 CHRNA7 (0.77) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL260445 0.81 CHRNA7 (0.77) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL260465 0.81 CHRNA7 (0.77) CHRNA7HTR3ADYRK1AWNT1CLK2
SCHEMBL1967272 0.81 CHRNA7 (0.72) CHRNA7HTR3ADYRK1AWNT1HTR3E

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-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US claimed
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
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 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-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885HTR3A 352/4885DYRK1A 2487/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885HTR3A 367/4885DYRK1A 2462/4885

“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.