SCHEMBL4331523

SCHEMBL4331523

c1cc(CCN2CCOCC2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70
CYP3A4 P08684 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
SIGMAR1 Q99720 3/20 0.56
POLB P06746 1/20 0.54
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
THRB P10828 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL16026648 0.86 HRH3 (0.84) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL3993675 0.82 HRH3 (0.92) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL3993201 0.82 HRH3 (1.00) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL6634823 0.81 HRH3 (0.66) HRH3CYP3A4CYP2D6CYP2C19POLB
SCHEMBL3994665 0.81 CYP1A2 (1.00) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL78043 0.81 SIGMAR1 (0.79) SIGMAR1POLBMEN1KMT2AMAPT
SCHEMBL9539677 0.81 SIGMAR1 (0.79) SIGMAR1POLBMEN1KMT2AMAPT
SCHEMBL19631783 0.80 HRH3 (0.54) TDP1L3MBTL1HRH3CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL11142875 0.79 HRH3 (0.63) HRH3CYP3A4CYP2D6CYP2C19POLB
SCHEMBL4172158 0.79 TDP1 (0.72) TDP1L3MBTL1HRH3CYP3A4CYP1A2

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
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
CN-1764661-B Benzenesulfonamide derivatives, process for their preparation and their use for the treatment of pain FOURNIER LAB SA 2010-05-05 CN disclosed
EP-1606288-B1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN FOURNIER LAB SA (FR) 2009-06-03 EP disclosed
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 US disclosed
CN-1764661-A Benzenesulfonamide derivatives, process for their preparation and their use for the treatment of pain FOURNIER LAB SA (FR) 2006-04-26 CN disclosed
EP-1606288-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2005-12-21 EP disclosed
WO-2004087700-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2004-10-14 WO disclosed
US-4620033-A CATALYST OF NICKEL COMPOUND, IODIDE COMPOUND AND PROMOTER OF TIN COMPOUND AND LITHIUM COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-10-28 US disclosed
US-4544511-A CATALYST CONTAINING NICKEL, HALIDES AND ORGANIC NITROGEN COMPOUND;COCATALYST OF METAL COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-10-01 US disclosed
EP-0065817-B1 PROCESS FOR PRODUCING CARBOXYLIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-24 EP disclosed
EP-0055622-B1 PROCESS FOR PRODUCING ACETIC ANHYDRIDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-05-29 EP disclosed
EP-0035860-B1 PROCESS FOR PRODUCING ETHYLIDENE DIACETATE AND/OR ACETALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-03-14 EP disclosed
EP-0048174-B1 PROCESS FOR PRODUCING VINYL ACETATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-02-22 EP disclosed
EP-0065817-A1 Process for producing carboxylic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-12-01 EP disclosed
EP-0055622-A1 Process for producing acetic anhydride MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-07-07 EP disclosed
EP-0048174-A1 Process for producing vinyl acetate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-03-24 EP disclosed
EP-0035860-A2 Process for producing ethylidene diacetate and/or acetaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-09-16 EP 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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R TDP1 3724/4885L3MBTL1 4617/4885HRH3 863/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 TDP1 4844/4885L3MBTL1 2010/4885HRH3 336/4885

“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.