SCHEMBL4388788

SCHEMBL4388788

O=C(O)N(c1ccccc1-c1ccccc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.48
SLC6A4 P31645 15/20 0.48
SLC6A3 Q01959 12/20 0.46
CYP2D6 P10635 7/20 0.46
KCNH2 Q12809 3/20 0.46
CHRM3 P20309 3/20 0.46
HRH1 P35367 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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
Hydrochloric Acid SCHEMBL1922778 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5722167 0.90 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL28206303 0.79 CHRNA4 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL8553350 0.79 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4997661 0.79 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL28896790 0.76 CHRM2 (0.60) CHRM3CHRM2
SCHEMBL7394452 0.76 KMT2A (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL20555953 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL17506337 0.72 NAPRT (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL17796940 0.72 USP30 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813533-A Lei Fen narasin oxidized impurity and preparation method thereof 斯坦德药典标准物质研发(湖北)有限公司 2023-09-29 CN disclosed
CN-107849014-B Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-07-09 CN disclosed
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-1086065-A1 COMBINATORIAL SYNTHESIS OF MULTIBINDING LIBRARIES Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
EP-1086066-A1 MUSCARINIC RECEPTOR ANTAGONISTS Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
EP-1086065-A4 COMBINATORIAL SYNTHESIS OF MULTIBINDING LIBRARIES 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
WO-1999064032-A1 COMBINATORIAL SYNTHESIS OF MULTIBINDING LIBRARIES 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 SLC6A2 2407/4885SLC6A4 2310/4885SLC6A3 2378/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 SLC6A2 2407/4885SLC6A4 2310/4885SLC6A3 2378/4885

“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.