SCHEMBL56555

SCHEMBL56555

CC(C)CC(N)C(O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
ANPEP P15144 6/20 0.40
DNPEP Q9ULA0 1/20 0.39
SLC7A5 Q01650 1/20 0.39
LAP3 P28838 4/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL89067 1.00 TSHR (0.43) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL7352795 0.88 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL7304880 0.81 TSHR (0.41) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL13006875 0.77 LMNA (0.36) TSHRALDH1A1LMNATDP1
SCHEMBL23343276 0.77
SCHEMBL20763921 0.77
SCHEMBL20845811 0.77
SCHEMBL10580204 0.77
SCHEMBL5740524 0.77
SCHEMBL702986 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137976-A1 Functional, Cross-Linked Nanostructures for Tandem Optical Imaging and Therapy IKARIA THERAPEUTICS LLC 2013-05-30 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885ALDH1A1 38/4885MAPK1 3191/4885
US-20130137976-A1 Functional, Cross-Linked Nanostructures for Tandem Optical Imaging and Therapy MTCL3, EPHA2, UACA TSHR 2924/4885ALDH1A1 1422/4885MAPK1 4516/4885

“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.