SCHEMBL4394784

SCHEMBL4394784

CNCC[N+]1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
SLC6A2 P23975 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ADRB2 P07550 1/20 0.35
RET P07949 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2C8 P10632 1/20 0.35

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
SCHEMBL1412991 0.72 S100A4 (0.39) LMNACYP3A4CYP1A2CYP2D6NPC1
SCHEMBL7342245 0.72 CDC25B (0.39) LMNACYP3A4CYP1A2CYP2D6NPC1
SCHEMBL9065440 0.67 MEN1 (0.39) LMNACYP3A4CYP1A2CYP2D6NPC1
SCHEMBL10700506 0.67 KMT2A (0.39) LMNACYP3A4CYP1A2CYP2D6NPC1
SCHEMBL30839867 0.64 GLS (0.55) CYP1A2CHRM2CYP2C19MEN1KMT2A
SCHEMBL6540450 0.64 MAOA (0.38) TAAR1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL4388842 0.64 GLS (0.55) CYP1A2CHRM2CYP2C19MEN1KMT2A
SCHEMBL5423240 0.63 CDC25B (0.45) ATMLMNACYP3A4CYP1A2CYP2D6
SCHEMBL30297855 0.63 CYP1A2 (0.46) LMNACYP3A4CYP1A2CYP2D6RAB9A
SCHEMBL13589924 0.62 MEN1 (0.56) CYP1A2CHRM2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20040110229-A1 Muscarinic receptor antagonists PNC BANK, NATIONAL ASSOCIATION 2004-06-10 US disclosed
US-6693202-B1 MULTIBINDING LIGANDS CONTAINING SUCH AS AMINE, AMIDE, ESTER, HYDROXYL, CARBAMATE, UREA AND/OR IMINO FUNCTIONALITY THERAVANCE, INC. 2004-02-17 US disclosed
US-20030087306-A1 Methods for identifying novel multimeric agents that modulate receptors THERAVANCE BIOPHARMA R&D IP, LLC 2003-05-08 US disclosed
EP-1086066-A4 MUSCARINIC RECEPTOR ANTAGONISTS ADVANCED MEDICINE INC (US) 2001-08-08 EP disclosed
EP-1086066-A1 MUSCARINIC RECEPTOR ANTAGONISTS Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
EP-1082289-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS Advanced Medicine, Inc. (US) 2001-03-14 EP disclosed
EP-1082289-A4 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-14 EP disclosed
WO-1999066944-A9 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
WO-1999064043-A9 MUSCARINIC RECEPTOR ANTAGONISTS ADVANCED MEDICINE INC (US) 2000-03-02 WO disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed
WO-1999064043-A1 MUSCARINIC RECEPTOR ANTAGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO 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 (2 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-20040110229-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 TAAR1 149/4885ATM 3029/4885LMNA 4772/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 TAAR1 149/4885ATM 3029/4885LMNA 4772/4885

“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.