SCHEMBL145311

SCHEMBL145311

CN(C)CC1CC1(C(=O)NCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.55
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LSS P48449 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
UTS2R Q9UKP6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SLC6A2 P23975 1/20 0.43
METAP2 P50579 1/20 0.42
HPGD P15428 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL141031 0.85 SLC6A2 (0.58) SLC6A4SLC6A3LSSSIGMAR1SLC6A2
SCHEMBL145634 0.83 SLC6A3 (0.66) SLC6A4SLC6A3KDM4ESIGMAR1SLC6A2
SCHEMBL137935 0.81 SLC6A3 (0.57) SLC6A4SLC6A3SIGMAR1ALDH1A1SLC6A2
SCHEMBL11048826 0.77 SLC6A3 (0.68) SLC6A4SLC6A3KDM4ESIGMAR1ALDH1A1
SCHEMBL11047938 0.77 SLC6A3 (0.72) SLC6A4SLC6A3KDM4ESIGMAR1ALDH1A1
SCHEMBL10831116 0.75 SIGMAR1 (0.71) SLC6A3SIGMAR1TMEM97
SCHEMBL142605 0.74 SLC6A3 (0.77) SLC6A4SLC6A3KDM4ESIGMAR1SLC6A2
SCHEMBL140633 0.74 SLC6A3 (0.68) SLC6A4SLC6A3KDM4ESIGMAR1SLC6A2
SCHEMBL10830557 0.71 SLC6A3 (0.50) SLC6A3SIGMAR1TMEM97
SCHEMBL11046164 0.70 SLC6A3 (0.66) SLC6A4SLC6A3KDM4ESIGMAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931346-B2 Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-04-03 US disclosed
US-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-27 US disclosed
EP-3082782-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
WO-2015091508-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
US-20050153947-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX 2005-07-14 US disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO disclosed
WO-2005027839-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-18 US disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines COMBINATORX, INCORPORATED 2004-11-04 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed
US-4478836-A 1-Aryl 2-aminomethyl cyclopropane carboxyamide (Z) derivatives and their use as useful drugs in the treatment of disturbances of the central nervous system PIERRE FABRE S.A. (FR) 1984-10-23 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 (8 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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, SLC6A2 SLC6A4 6/4885SLC6A3 29/4885KDM4E 4133/4885
US-20050153947-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885SLC6A3 1714/4885KDM4E 4482/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC6A4 938/4885SLC6A3 1670/4885KDM4E 3768/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885SLC6A3 1714/4885KDM4E 4482/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885SLC6A3 1714/4885KDM4E 4482/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A4 4506/4885SLC6A3 4759/4885KDM4E 3362/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A4 3269/4885SLC6A3 3683/4885KDM4E 3208/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC6A4 3269/4885SLC6A3 3683/4885KDM4E 3208/4885

“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.