SCHEMBL13658288

SCHEMBL13658288

O=C(CC1CN2CCC1CC2)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.41
▸ CHRM2 P08172 5/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC6A4 P31645 2/20 0.34
▸ CHRNA4 P43681 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 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
SCHEMBL4282682 0.91 CHRM3 (0.38) CHRM3CHRM2CYP2D6CHRM1MEN1
SCHEMBL14619433 0.84 CHRM3 (0.34) CHRM3DRD2
SCHEMBL12614403 0.78 CHRM2 (0.43) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL7319174 0.75 CHRM2 (0.41) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL23315373 0.75 CHRM2 (0.41) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL25082064 0.75 CHRM2 (0.41) CHRM3CHRM2CYP2D6CHRM1MEN1
SCHEMBL23435952 0.75 CHRM2 (0.41) CHRM2CYP2D6CHRM1MEN1KMT2A
SCHEMBL12506844 0.72 CHRM2 (0.47) CHRM3CHRM2CYP2D6CHRM1MEN1
SCHEMBL25607288 0.72 CHRM2 (0.47) CHRM3CHRM2CYP2D6CHRM1MEN1
SCHEMBL15318794 0.72 CHRM2 (0.57) CHRM3CHRM2CYP2D6CHRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414762-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-09-17 — — US disclosed
US-9914729-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 — — US disclosed
US-9914729-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 — — US disclosed
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2017-06-29 — — US disclosed
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2017-06-29 — — US disclosed
US-9433614-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 — — US disclosed
US-9433614-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 — — US disclosed
US-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 — — US disclosed
US-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 — — US disclosed
US-9000008-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 — — US disclosed
US-9000008-B2 Amides of acetic and propionic acids BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 — — US disclosed
US-8518967-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2013-08-27 — — US disclosed
US-8518967-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2013-08-27 — — US disclosed
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2009-10-15 — — US disclosed
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2009-10-15 — — US disclosed
US-7553851-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2009-06-30 — — US disclosed
US-7553851-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2009-06-30 — — US disclosed
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — 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 (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-20160022651-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CHRM3 74/4885CHRM2 37/4885CYP2D6 3758/4885
US-20170183339-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CHRM3 74/4885CHRM2 37/4885CYP2D6 3758/4885
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA CHRM3 74/4885CHRM2 37/4885CYP2D6 3758/4885
US-20070037844-A1 2-(1-Azabicyclo[2.2.2]oct-3-yl)-N-(7-bromo-1-benzothien-2-yl)acetamide hydrochloride; nicotinic receptor agonists; cognition activators; learning enhancement; nootropic agents; demetia; cholinergic agents; Alzheimer's disease; brain traumas; stroke; attention deficit disorder; schizophrenia CHRNA2, CHRNA6, CHRNA5 CHRM3 30/4885CHRM2 15/4885CYP2D6 2605/4885
US-10414762-B2 Amides of acetic and propionic acids HCAR2, HCAR3, NAAA CHRM3 74/4885CHRM2 37/4885CYP2D6 3758/4885

“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.

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