SCHEMBL141607

SCHEMBL141607

CN(C)CCCC1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.81
SLC6A2 P23975 2/20 0.81
HTR2C P28335 2/20 0.81
ADRA1A P35348 2/20 0.81
HRH1 P35367 2/20 0.81
OPRM1 P35372 2/20 0.81
DRD3 P35462 2/20 0.81
HTR2B P41595 2/20 0.81
KCNH2 Q12809 2/20 0.81
NPC1 O15118 1/20 0.81
SLC22A1 O15245 1/20 0.81
ALDH1A1 P00352 1/20 0.81
CHRM2 P08172 1/20 0.81
HTR1A P08908 1/20 0.81
CHRM1 P11229 1/20 0.81
DRD1 P21728 1/20 0.81
ACHE P22303 1/20 0.81
HRH2 P25021 1/20 0.81
ADRA1D P25100 1/20 0.81
HTR2A P28223 1/20 0.81

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
SCHEMBL138582 0.94 SLC6A4 (0.74) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL145621 0.93 SLC6A4 (0.88) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL15492883 0.90 SLC6A4 (0.82) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2807947 0.90 SLC6A4 (0.82) SLC6A4SLC6A2HTR2CADRA1AHRH1
Hydrochloric Acid SCHEMBL2806605 0.89 SLC6A4 (0.81) SLC6A4SLC6A2HTR2CADRA1AHRH1
Escitalopram SCHEMBL34948 0.89 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
(R)-Citalopram SCHEMBL13235283 0.89 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
Citalopram SCHEMBL3858802 0.89 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2813464 0.89 SLC6A4 (0.81) SLC6A4SLC6A2HTR2CADRA1AHRH1
Citalopram SCHEMBL946 0.89 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1

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
US-4136193-A ANTI-DEPRESSIVE SUBSTITUTED 1-DIMETHYLAMINOPROPYL-1-PHENYL PHTHALANS KEFALAS A/S (DK) 1979-01-23 US claimed
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-20080280862-A1 Methods, compositions, and kits for the treatment of pain COMBINATORX, INCORPORATED 2008-11-13 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-4136193-A ANTI-DEPRESSIVE SUBSTITUTED 1-DIMETHYLAMINOPROPYL-1-PHENYL PHTHALANS KEFALAS A/S (DK) 1979-01-23 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 (9 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-20080280862-A1 Methods, compositions, and kits for the treatment of pain ACHE, MPO, P2RX3 SLC6A4 2924/4885SLC6A2 2734/4885HTR2C 931/4885
US-20050153947-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885SLC6A2 562/4885HTR2C 185/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 SLC6A4 938/4885SLC6A2 1019/4885HTR2C 1189/4885
US-20040220153-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885SLC6A2 562/4885HTR2C 185/4885
US-20080287406-A1 Compositions and methods for treating medical conditions S100B, S100P, S100A6 SLC6A4 761/4885SLC6A2 1042/4885HTR2C 206/4885
US-20040229849-A1 Methods and reagents for the treatment of diseases and disorders associated with increased levels of proinflammatory cytokines TNF, IL5, IL6 SLC6A4 342/4885SLC6A2 562/4885HTR2C 185/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A4 4506/4885SLC6A2 4415/4885HTR2C 4200/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A4 3269/4885SLC6A2 3188/4885HTR2C 3397/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC6A4 3269/4885SLC6A2 3188/4885HTR2C 3397/4885

“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.