SCHEMBL1087374

SCHEMBL1087374

COCCN(C(C)C)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.41
SLC6A4 P31645 18/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SLC6A3 Q01959 8/20 0.35
PIK3CD O00329 1/20 0.33

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
SCHEMBL21030401 0.87 PIK3CD (0.39) PIK3CD
SCHEMBL104717 0.83 PIK3CD (0.36) PIK3CD
SCHEMBL17914504 0.81 ADH1A (0.37) PIK3CD
SCHEMBL21038725 0.77 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3PIK3CD
SCHEMBL392115 0.76 SLC6A4 (0.43) SLC6A2SLC6A4NOS3NOS1NOS2
SCHEMBL18475299 0.76 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL8852143 0.75 SLC6A2 (0.41) SLC6A2SLC6A4NOS3NOS1NOS2
SCHEMBL9882967 0.75 SLC6A2 (0.46) SLC6A2SLC6A4NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL18428935 0.74 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL14291564 0.74 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3

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 SLC6A2 3406/4885SLC6A4 2575/4885NOS3 627/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SLC6A2 3406/4885SLC6A4 2575/4885NOS3 627/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 SLC6A2 3408/4885SLC6A4 2558/4885NOS3 634/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SLC6A2 3406/4885SLC6A4 2575/4885NOS3 627/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 SLC6A2 3406/4885SLC6A4 2575/4885NOS3 627/4885

“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.