SCHEMBL5165740

SCHEMBL5165740

Nc1c(Cl)cc(C(=O)Cl)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.41
ADRB1 P08588 1/20 0.41
HSD11B1 P28845 7/20 0.37
KDR P35968 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.36
PDK1 Q15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 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
SCHEMBL3306839 0.86 TTR (0.47) ADRB2ADRB1HSD11B1KDRPDK1
SCHEMBL5166345 0.84 NPFFR2 (0.44) ADRB2ADRB1HSD11B1KDRNPFFR2
SCHEMBL28644289 0.84 ADRB2 (0.40) ADRB2ADRB1HSD11B1KDRNPFFR2
Hydrochloric Acid SCHEMBL7280694 0.84 TTR (0.46) ADRB2ADRB1HSD11B1KDRPDK1
SCHEMBL31749059 0.84 NPFFR2 (0.44) ADRB2ADRB1HSD11B1KDRNPFFR2
SCHEMBL11632983 0.82 GSK3B (0.42) ADRB2RAB9A
SCHEMBL9446664 0.81 ADRB2 (0.39) ADRB2ADRB1HSD11B1KDRNPFFR2
SCHEMBL12433188 0.81 ADRB2 (0.45) ADRB2ADRB1HSD11B1KDRNPFFR2
SCHEMBL3002757 0.80 HSD11B1 (0.50) HSD11B1
SCHEMBL5167276 0.80 GSK3B (0.44) ADRB2ADRB1HSD11B1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439164-B1 NOVEL PHENYLETHANOLAMINE COMPOUNDS HAVING BETA2-ACCEPTOR EXCITATORY FUNCTION AND THEIR PREPARATION METHOD UNIV SHENYANG PHARMACEUTICAL (CN) 2007-04-11 EP disclosed
US-7098364-B2 Phenylethanolamine compounds as β2-receptor agonists, and methods of use and preparation thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2006-08-29 US disclosed
US-20040266867-A1 Novel phenylethanolamine compounds having &bgr;<sb>2</sb>acceptor excitatory function and their preparation method JINZHOU JIUTAI PHARMACEUTICAL CO., LTD. CHINA (CN) 2004-12-30 US disclosed
EP-1439164-A1 NOVEL PHENYLETHANOLAMINE COMPOUNDS HAVING BETA2-ACCEPTOR EXCITATORY FUNCTION AND THEIR PREPARATION METHOD Shenyang Pharmaceutical University (CN) 2004-07-21 EP disclosed
EP-0158532-B1 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) 1994-06-22 EP disclosed
US-5273972-A [(2-diakylaminomethyl)-3-quinuclidinyl]-benzamides and benzoates A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5236931-A Treating anxiety, psychosis, cognitive dysfunction, migrane, cluster headache, trigeminal neuralgia emesis and impaired gastric motility A. H. ROBINS COMPANY, INCORPORATED (US) 1993-08-17 US disclosed
US-5206246-A Anxiolytic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-04-27 US disclosed
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 disclosed
EP-0353372-B1 Antischizophrenic-S-N-(1-azabicyclo[2.2.2.]oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1993-02-03 EP disclosed
EP-0353372-A1 Antischizophrenic-S-N-(1-azabicyclo[2.2.2.]oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1990-02-07 EP disclosed
US-4877794-A 2-Alkoxy-n-(1-azabicyclo(2.2.2)oct-3-yl) benzamide and thiobenzamide compositions and the use thereof to treat schizophrenia A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-31 US disclosed
EP-0311724-A1 Anxiolytic-R-N-(1-azabicyclo[2.2.2]oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1989-04-19 EP disclosed
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 disclosed
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 disclosed
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 disclosed
EP-0240180-A1 2-alkoxy-N-(1-azabicyclo[2.2.2]-oct-3-yl) benzamides and thiobenzamides in the alleviation of emesis caused by non-platinum anticancer drugs SYNTHELABO (FR) 1987-10-07 EP 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
US-4093734-A ANTIULCER AGENTS, ANTIEMETICS, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1978-06-06 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 (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-20040266867-A1 Novel phenylethanolamine compounds having &bgr;<sb>2</sb>acceptor excitatory function and their preparation method ADRB2, ADRB3, CHRM3 ADRB2 1/4885ADRB1 4/4885HSD11B1 669/4885

“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.