SCHEMBL262163

SCHEMBL262163

c1ccc2c(NCC3CN4CCC3CC4)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
MAPK10 P53779 16/20 0.47
MAPK8 P45983 10/20 0.46
TRPA1 O75762 1/20 0.41

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
SCHEMBL259790 1.00 ACHE (0.56) ACHECHRNA7HTR3AMAPK10MAPK8
SCHEMBL261130 1.00 ACHE (0.56) ACHECHRNA7HTR3AMAPK10MAPK8
SCHEMBL263707 0.77 ACHE (0.56) ACHEHTR3A
SCHEMBL260547 0.77 ROCK2 (0.43) CHRNA7HTR3A
SCHEMBL260153 0.77 ROCK2 (0.43) CHRNA7HTR3A
SCHEMBL262037 0.77 ROCK2 (0.43) CHRNA7HTR3A
SCHEMBL261861 0.70 CHRNA7 (0.58) CHRNA7HTR3A
SCHEMBL261274 0.70 CHRNA7 (0.58) CHRNA7HTR3A
SCHEMBL11090903 0.70 ACHE (0.51) ACHEMAPK10MAPK8
SCHEMBL259755 0.70 CHRNA7 (0.58) CHRNA7HTR3A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252811-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-08-28 US claimed
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 US claimed
EP-2305675-A1 Indazoles, Benzothiazoles, and Benzoisothiazoles, and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-04-06 EP claimed
JP-2006503851-A 2006-02-02 JP claimed
CN-1684962-A Indazoles, benzothiazoles, and benzisothiazoles, and preparation and use thereof MEMORY PHARM CORP (US) 2005-10-19 CN claimed
EP-1543000-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2005-06-22 EP claimed
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 US claimed
WO-2004029050-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO 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-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
CN-1684962-A Indazoles, benzothiazoles, and benzisothiazoles, and preparation and use thereof MEMORY PHARM CORP (US) 2005-10-19 CN disclosed
EP-1543000-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2005-06-22 EP disclosed
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2004-07-08 US disclosed
WO-2004029050-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2004-04-08 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 (5 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 ACHE 22/4885CHRNA7 1/4885HTR3A 152/4885
US-20040132790-A1 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof CHRNA5, CHRNA7, CHRNA3 ACHE 22/4885CHRNA7 2/4885HTR3A 166/4885
US-20080154037-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 ACHE 22/4885CHRNA7 1/4885HTR3A 152/4885
US-20110212957-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 ACHE 22/4885CHRNA7 1/4885HTR3A 152/4885
US-20080176890-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 ACHE 22/4885CHRNA7 1/4885HTR3A 152/4885

“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.