SCHEMBL73644

SCHEMBL73644

[CH2]CCOc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C2 P08235 1/20 0.39
HSPB1 P04792 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.38
DCPS Q96C86 1/20 0.38
TRPA1 O75762 3/20 0.37
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.37
KDM1A O60341 2/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL5315380 0.84 ADRA1D (0.39) L3MBTL1TDP1
SCHEMBL21388207 0.83 L3MBTL1 (0.48) MEN1ALDH1A1POLBHPGDKMT2A
SCHEMBL1547757 0.83 ALDH1A1 (0.43) MEN1ALDH1A1POLBHPGDKMT2A
SCHEMBL10458633 0.82 HTR2A (0.50) MEN1ALDH1A1POLBHPGDKMT2A
SCHEMBL21601494 0.82 KDM4E (0.54) MEN1ALDH1A1POLBHPGDKMT2A
SCHEMBL29546953 0.82 KDM4E (0.54) MEN1ALDH1A1POLBHPGDKMT2A
SCHEMBL27738395 0.81 NSD2 (0.45) ALDH1A1POLBHPGDL3MBTL1TDP1
SCHEMBL5317553 0.81 S1PR4 (0.48)
SCHEMBL28813531 0.81 GAA (0.43) MEN1ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL7528742 0.80 HTR1B (0.46) MEN1ALDH1A1POLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US claimed
US-7879874-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-01 US claimed
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME PRAT QUINONES MARIA 2010-09-16 US claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-06-07 US claimed
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US claimed
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2007-05-10 US claimed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US claimed
US-7122558-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA AG (CH) 2006-10-17 US claimed
EP-1353919-B1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2006-07-26 EP claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO claimed
EP-1353919-A2 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2003-10-22 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
WO-2002053564-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-11 WO claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MEN1 852/4885ALDH1A1 610/4885POLB 4371/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 MEN1 4305/4885ALDH1A1 1369/4885POLB 2207/4885
US-20070129398-A1 Novel quinuclidine derivatives and medicinal compositions containing the same NR0B1, NR2C2, NR1I3 MEN1 3057/4885ALDH1A1 1964/4885POLB 2949/4885
US-20100234332-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NR0B1, NR4A1, NR0B2 MEN1 3347/4885ALDH1A1 1880/4885POLB 2449/4885
US-20070105897-A1 Novel quinuclidine derivatives and medicinal compositions containing the same NR0B1, NR4A1, NR0B2 MEN1 2979/4885ALDH1A1 1864/4885POLB 2503/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MEN1 852/4885ALDH1A1 610/4885POLB 4371/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 MEN1 959/4885ALDH1A1 734/4885POLB 4160/4885

“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.