SCHEMBL1088596

SCHEMBL1088596

CCC(CC)(COC)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.53
MC4R P32245 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48
OPRM1 P35372 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 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
SCHEMBL1089165 0.82 SIGMAR1 (0.61) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL12848464 0.80 SIGMAR1 (0.62) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL19231601 0.76 SIGMAR1 (0.66) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL855234 0.74 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL8188324 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL1415730 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL1041303 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL242970 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL576868 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL2489199 0.73 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SIGMAR1 2500/4885MC4R 1217/4885LMNA 4403/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SIGMAR1 2500/4885MC4R 1217/4885LMNA 4403/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 SIGMAR1 2498/4885MC4R 1246/4885LMNA 4426/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SIGMAR1 2500/4885MC4R 1217/4885LMNA 4403/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SIGMAR1 2500/4885MC4R 1217/4885LMNA 4403/4885

“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.