SCHEMBL2834111

SCHEMBL2834111

CC(C)(C)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
NR3C1 P04150 3/20 0.51
ATM Q13315 1/20 0.48
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL12205458 0.86 KMT2A (0.43) MAOAMAOBNR3C1ATMPKM
SCHEMBL3952959 0.84 NR3C1 (0.46) MAOAMAOBNR3C1ATMPKM
SCHEMBL24119464 0.83 NR3C1 (0.43) MAOAMAOBNR3C1ATMPKM
SCHEMBL21448622 0.82 NR3C1 (0.46) MAOAMAOBNR3C1ATMPKM
SCHEMBL12230864 0.80 NR3C1 (0.41) MAOAMAOBNR3C1ATMPKM
SCHEMBL3353198 0.80 NR3C1 (0.41) MAOAMAOBNR3C1ATMPKM
SCHEMBL5060606 0.77 MAOA (0.52) MAOAMAOBNR3C1ATMPKM
SCHEMBL12230856 0.77 NR3C1 (0.43) NR3C1
SCHEMBL12205540 0.77 NR3C1 (0.63) MAOAMAOBNR3C1ATMPKM
SCHEMBL12142430 0.77 HTR2A (0.43) MAOAMAOBNR3C1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334457-A Process for preparing tricyclic compounds 拜耳公司 2021-02-05 CN claimed
CN-112334457-A Process for preparing tricyclic compounds 拜耳公司 2021-02-05 CN disclosed
US-9216971-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-06 US disclosed
US-8815907-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-26 US disclosed
US-8785633-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-07-22 US disclosed
US-20130281489-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-10-24 US disclosed
US-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-10 US disclosed
US-8492407-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-07-23 US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 US disclosed
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-08-18 US disclosed
US-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 US disclosed
US-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 US disclosed
EP-2178891-A2 PHOSPHONOUS ACIDS, SALTS AND ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME Clariant Finance (BVI) Limited (VG) 2010-04-28 EP disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2009-03-12 US disclosed
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2009-03-12 US disclosed
WO-2009010188-A2 ALKYLPHOSPHONOUS ACIDS, SALTS AND ESTERS, METHODS FOR THE PRODUCTION THEREOF, AND USE OF SAME CLARIANT INTERNATIONAL LTD (CH) 2009-01-22 WO disclosed
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma THERAVANCE, INC. 2008-10-30 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 (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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 MAOA 597/4885MAOB 594/4885NR3C1 509/4885
US-20130281489-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 MAOA 1728/4885MAOB 2148/4885NR3C1 1033/4885
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 MAOA 597/4885MAOB 594/4885NR3C1 509/4885
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma CHRM2, CHRM5, CHRM3 MAOA 914/4885MAOB 1312/4885NR3C1 293/4885
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 MAOA 615/4885MAOB 366/4885NR3C1 747/4885
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM1 MAOA 597/4885MAOB 594/4885NR3C1 509/4885
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 MAOA 1728/4885MAOB 2148/4885NR3C1 1033/4885

“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.