SCHEMBL261088

SCHEMBL261088

O=C(NC1CN2CCC1CC2)c1nsc2cc(N3CCOCC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.49
KCNH2 Q12809 1/20 0.49
CHRNA7 P36544 9/20 0.48
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
FLT3 P36888 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
SCHEMBL260995 1.00 HTR3A (0.49) HTR3AKCNH2CHRNA7HTR3EHTR3B
SCHEMBL260209 1.00 HTR3A (0.49) HTR3AKCNH2CHRNA7HTR3EHTR3B
SCHEMBL492950 0.91 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL493048 0.91 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL492249 0.89 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL492552 0.89 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL492213 0.89 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL492371 0.89 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL492363 0.86 CHRNA7 (0.48) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL493199 0.86 CHRNA7 (0.48) HTR3ACHRNA7HTR3EHTR3BHTR3D

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943773-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-05-17 US claimed
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 US claimed
US-8252811-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-08-28 US disclosed
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 US disclosed
US-8134003-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-09-01 US disclosed
US-7943773-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-05-17 US disclosed
EP-2305675-A1 Indazoles, Benzothiazoles, and Benzoisothiazoles, and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-04-06 EP disclosed
US-20090209579-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-08-20 US disclosed
US-7429664-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
US-20080176890-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2008-07-24 US disclosed
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2008-06-26 US disclosed
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 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 (6 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-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 152/4885KCNH2 331/4885CHRNA7 1/4885
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof CHRNA5, CHRNA7, CHRNA3 HTR3A 166/4885KCNH2 490/4885CHRNA7 2/4885
US-20090209579-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 152/4885KCNH2 331/4885CHRNA7 1/4885
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 152/4885KCNH2 331/4885CHRNA7 1/4885
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 152/4885KCNH2 331/4885CHRNA7 1/4885
US-20080176890-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HTR3A 152/4885KCNH2 331/4885CHRNA7 1/4885

“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.