SCHEMBL10089208

SCHEMBL10089208

CCC1CCN(C(=O)OCC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
MMP13 P45452 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28781412 0.86 POLB (0.43) GAAL3MBTL1THRBATMNOS3
SCHEMBL13517101 0.85 GAA (0.41) GAAL3MBTL1THRBATMNOS3
SCHEMBL8434541 0.84 GAA (0.62) GAAL3MBTL1THRBATMNOS3
SCHEMBL3931362 0.83 GAA (0.45) GAAL3MBTL1THRBATMMMP13
SCHEMBL8921752 0.83 ALDH1A1 (0.46) GAAL3MBTL1THRBATMNOS3
SCHEMBL26228145 0.82 GAA (0.45) GAAL3MBTL1THRBATMMMP13
SCHEMBL16591623 0.81 CYP2D6 (0.45) GAAL3MBTL1THRBATMMMP13
SCHEMBL19368508 0.81 SMN1; SMN2 (0.56) GAAL3MBTL1ALDH1A1CHRM1TSHR
SCHEMBL12082 0.79 HPGD (0.55) THRBGPR119PKMSMN1; SMN2
SCHEMBL12086316 0.79 GAA (0.49) GAAL3MBTL1THRBATMMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-01-31 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 US disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 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 (2 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-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B GAA 588/4885L3MBTL1 3737/4885THRB 3060/4885
US-20080027022-A1 METHOD TO TREAT GASTRIC LESIONS ADORA2A, ADORA2B, PDE4A GAA 877/4885L3MBTL1 4033/4885THRB 2549/4885

“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.