SCHEMBL330217

SCHEMBL330217

CN(C)CC1NCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.62
SLC22A1 O15245 1/20 0.59
OPRM1 P35372 7/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
OPRK1 P41145 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
SCHEMBL9533144 0.84 PRCP (0.59) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL20332667 0.83 HTR2A (0.51) PRCPSLC22A1ALDH1A1HTR2AHRH1
SCHEMBL1011090 0.81 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL29768301 0.81 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL16455043 0.81 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL10226238 0.81 PRCP (0.68) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL13977536 0.79 PRCP (0.67) PRCPSLC22A1OPRM1ALDH1A1GAA
SCHEMBL9529226 0.78 HTR2A (0.49) PRCPOPRM1ALDH1A1HTR2AHRH1
SCHEMBL9529244 0.78 HTR2A (0.50) PRCPOPRM1GAAHTR2AHRH1
SCHEMBL10513388 0.78 DRD2 (0.48) GAAKDM4EHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
EP-0232989-B1 ISOQUINOLINE DERIVATIVES Dr. Lo. Zambeletti S.p.A. (IT) 1991-08-21 EP disclosed
US-4806547-A Isoquinoline derivatives, analgesic compounds thereof and method of treating pain DR. LO. ZAMBELETTI SPA (IT) 1989-02-21 US disclosed
EP-0232989-A2 Isoquinoline derivatives Dr. Lo. Zambeletti S.p.A. (IT) 1987-08-19 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 (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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 PRCP 974/4885SLC22A1 3482/4885OPRM1 3264/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 PRCP 974/4885SLC22A1 3482/4885OPRM1 3264/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 PRCP 974/4885SLC22A1 3482/4885OPRM1 3264/4885

“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.