SCHEMBL2525645

SCHEMBL2525645

O=C(O)CCC1CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
CHRNB2 P17787 2/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
SLC6A1 P30531 4/20 0.50
SLC6A11 P48066 3/20 0.50
SLC6A13 Q9NSD5 3/20 0.50
GABRA5 P31644 2/20 0.50
GABRB2 P47870 2/20 0.50
SLC6A12 P48065 2/20 0.50
CPN1 P15169 2/20 0.50
CPB2 Q96IY4 2/20 0.50
GABRA1 P14867 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRA4 P48169 1/20 0.50
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAAA Q02083 1/20 0.45

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
SCHEMBL13308547 1.00 KMT2A (0.62) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13308548 1.00 KMT2A (0.62) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8182632 0.98 KMT2A (0.60) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5313695 0.94 KMT2A (0.56) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5499051 0.89 KMT2A (0.55) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29207730 0.88 SLC6A1 (0.64) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31370174 0.88 SLC6A1 (0.64) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5499043 0.88 SLC6A1 (0.64) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26547239 0.87 NAAA (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL25181844 0.86 SLC6A1 (0.62) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316809-B1 Salts of amino-(poly)percarboxylic acids AUSIMONT SPA (IT) 1993-11-03 EP claimed
CN-113950471-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-01-18 CN disclosed
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
WO-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 WO disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
EP-0316809-B1 Salts of amino-(poly)percarboxylic acids AUSIMONT SPA (IT) 1993-11-03 EP disclosed
US-5245075-A Bleaching agents AUSIMONT S.R.L. (IT) 1993-09-14 US disclosed
US-5236678-A Process for absorption of sulfur compounds from fluids using piperidines THE DOW CHEMICAL COMPANY (US) 1993-08-17 US disclosed
EP-0552360-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-07-28 EP disclosed
WO-1993003825-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-03-04 WO disclosed
US-5167941-A Sulfur dioxide; cationic polyelectrolyte stabilizers THE DOW CHEMICAL COMPANY (US) 1992-12-01 US disclosed
US-5147882-A Cardiovascular disorders KARL THOMAE GMBH (DE) 1992-09-15 US disclosed
EP-0471592-A2 Process for absorption of sulfur compounds from fluids using certain piperidines, piperazines, or anhydrides of monocarboxylic amino acids THE DOW CHEMICAL COMPANY (US) 1992-02-19 EP disclosed
EP-0316809-A2 Salts of amino-(poly)percarboxylic acids AUSIMONT S.p.A. (IT) 1989-05-24 EP disclosed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 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 (3 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KMT2A 2367/4885CHRNB2 12/4885CHRNB4 15/4885
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, PAICS, SLCO1B1 KMT2A 3405/4885CHRNB2 4872/4885CHRNB4 4880/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 KMT2A 2367/4885CHRNB2 12/4885CHRNB4 15/4885

“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.