SCHEMBL3500099

SCHEMBL3500099

COc1cc2ccccc2cc1C(=O)NC1CN2CCC1CC2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.66
HTR3E A5X5Y0 1/20 0.66
HTR3B O95264 1/20 0.66
HTR5A P47898 1/20 0.66
HTR3D Q70Z44 1/20 0.66
HTR3C Q8WXA8 1/20 0.66
MEN1 O00255 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 1/20 0.66
CHRNA7 P36544 4/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL7281541 1.00 HTR3A (0.66) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL3500096 1.00 HTR3A (0.66) HTR3AHTR3EHTR3BHTR5AHTR3D
Hydrochloric Acid SCHEMBL10342447 0.99 MAPK1 (0.66) HTR3AHTR3EHTR3BHTR5AHTR3D
Hydrochloric Acid SCHEMBL10342444 0.99 MAPK1 (0.66) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2229649 0.87 HTR3A (0.73) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2229644 0.87 HTR3A (0.73) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2228215 0.85 CHRNA7 (0.64) HTR3ACHRNA7
SCHEMBL7281094 0.85 CHRNA7 (0.64) HTR3ACHRNA7
SCHEMBL2228214 0.85 CHRNA7 (0.64) HTR3ACHRNA7
SCHEMBL2230467 0.85 HTR3A (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206246-A Anxiolytic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-04-27 US claimed
EP-0306345-B1 2-ALKOXY-N-(1-AZABICYCLO(2.2.2)-OCT-3-YL) BENZAMIDES AND THIOBENZAMIDES HAVING AN ANTISCHIZOPHRENIC ACTIVITY SYNTHELABO (FR) 1993-04-14 EP claimed
EP-0327335-B1 ARYLAMIDO(AND ARYLTHIOAMIDO)-AZABICYCLOALKANES FOR ENHANCING MEMORY OR CORRECTING MEMORY DEFICIENCY SYNTHELABO (FR) 1992-10-14 EP claimed
EP-0272052-B1 Anxiolytic-N-(1-Azabicyclo[2.2.2]Oct-3-yl) Benzamides and Thobenzamides A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-07-08 EP claimed
US-4908370-A Antianxiety agents A. H. ROBBINS COMPANY, INC. (US) 1990-03-13 US claimed
US-4863919-A Method of enhancing memory or correcting memory deficiency with arylamido(and arylthiomido)-azabicycloalkanes A. H. ROBINS COMPANY, INCORPORATED (US) 1989-09-05 US claimed
EP-0327335-A1 Arylamido(and arylthioamido)-azabicycloalkanes for enhancing memory or correcting memory deficiency SYNTHELABO (FR) 1989-08-09 EP claimed
EP-0306345-A2 2-Alkoxy-n-(1-azabicyclo(2.2.2)-oct-3-yl) benzamides and thiobenzamides having an antischizophrenic activity SYNTHELABO (FR) 1989-03-08 EP claimed
EP-0272052-A1 Anxiolytic-N-(1-Azabicyclo[2.2.2]Oct-3-yl) Benzamides and Thobenzamides A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-06-22 EP claimed
US-4717563-A 2-alkoxy-N-(1-azabicyclo(2.2.2)oct-3-yl) benzamides and thiobenzamides in a method for alleviating emesis caused by non-platinum anticancer drugs A. H. ROBINS COMPANY, INC. (US) 1988-01-05 US claimed
US-4605652-A ALZHEIMER'S DISEASE; SENILITY A. H. ROBINS COMPANY, INC. (US) 1986-08-12 US claimed
EP-0158532-A2 Use of 4-amino-N-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide for the manufacture of a medicament having anti-emetic activity. SYNTHELABO (FR) 1985-10-16 EP claimed
EP-2344636-B1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HUGHES HOWARD MED INST (US) 2017-12-06 EP disclosed
EP-2344636-B1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HUGHES HOWARD MED INST (US) 2017-12-06 EP disclosed
US-8435762-B2 Chimeric ligand-gated ion channels and methods of use thereof HOWARD HUGHES MEDICAL INSTITUTE (US) 2013-05-07 US disclosed
US-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-05-27 US disclosed
EP-0190920-A2 Method of enhancing memory or correcting memory deficiency with arylamido (and arylthioamido)azabicycloalkanes SYNTHELABO (FR) 1986-08-13 EP disclosed
US-4605652-A ALZHEIMER'S DISEASE; SENILITY A. H. ROBINS COMPANY, INC. (US) 1986-08-12 US disclosed
US-4593034-A 2-alkoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0158532-A2 Use of 4-amino-N-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide for the manufacture of a medicament having anti-emetic activity. SYNTHELABO (FR) 1985-10-16 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-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA4 HTR3A 571/4885HTR3E 633/4885HTR3B 473/4885

“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.