SCHEMBL141801

SCHEMBL141801

CN(C)CC1CC1(C(N)=O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.50
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 4/20 0.39
P2RX7 Q99572 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 1/20 0.36
HTR2C P28335 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC4 P56524 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL16833937 0.82 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4CYP2D6HTR2C
SCHEMBL11048675 0.82 SLC6A3 (0.49) SLC6A3SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL140633 0.81 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4SIGMAR1CYP2D6
SCHEMBL138663 0.74 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4SIGMAR1CYP2D6
SCHEMBL4732456 0.74 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4SIGMAR1CYP2D6
SCHEMBL11048826 0.72 SLC6A3 (0.68) SLC6A3SLC6A2SLC6A4SIGMAR1CYP2D6
SCHEMBL11047938 0.72 SLC6A3 (0.72) SLC6A3SLC6A2SLC6A4SIGMAR1CYP2D6
SCHEMBL11590921 0.71 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4SIGMAR1OPRM1
SCHEMBL142653 0.70 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL142605 0.70 SLC6A3 (0.77) SLC6A3SLC6A2SLC6A4SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1670427-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-01-07 EP disclosed
US-20080287406-A1 Compositions and methods for treating medical conditions ZALICUS INC. 2008-11-20 US 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-20050153947-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A3 1714/4885SLC6A2 562/4885SLC6A4 342/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC6A3 1670/4885SLC6A2 1019/4885SLC6A4 938/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A3 1714/4885SLC6A2 562/4885SLC6A4 342/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC6A3 3786/4885SLC6A2 1042/4885SLC6A4 761/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A3 1714/4885SLC6A2 562/4885SLC6A4 342/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A3 4759/4885SLC6A2 4415/4885SLC6A4 4506/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A3 3683/4885SLC6A2 3188/4885SLC6A4 3269/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC6A3 3683/4885SLC6A2 3188/4885SLC6A4 3269/4885

“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.