SCHEMBL330238

SCHEMBL330238

c1ccc2c(c1)CCN[C@H]2CN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.57
PRCP P42785 5/20 0.55
SLC22A1 O15245 1/20 0.55
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL329925 1.00 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329828 1.00 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL3453173 0.98 OPRM1 (0.56) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329886 0.85 OPRM1 (0.59) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL8790382 0.84 OPRM1 (0.49) OPRM1PRCPSLC22A1SMN1; SMN2KDM4E
SCHEMBL9530399 0.84 OPRM1 (0.54) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9423819 0.83 PRCP (0.56) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373834 0.81 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373842 0.81 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373828 0.81 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2

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 8 patents. 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-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-20090111982-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-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 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 (5 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885

“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.