SCHEMBL3549261

SCHEMBL3549261

CNC(=O)CCNCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ANPEP P15144 3/20 0.38
RNPEP Q9H4A4 2/20 0.38
DNPEP Q9ULA0 2/20 0.38
CA1 P00915 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
NAMPT P43490 1/20 0.35
CNR1 P21554 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KISS1R Q969F8 1/20 0.32

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
SCHEMBL22622460 0.84 LMNA (0.52) LMNAALDH1A1NAMPTPOLB
SCHEMBL12847460 0.82 LMNA (0.50) LMNAALDH1A1NAMPTPOLB
SCHEMBL12791478 0.82 LMNA (0.50) LMNAALDH1A1NAMPTPOLB
SCHEMBL25159888 0.81 ANPEP (0.35) LMNAANPEPRNPEPDNPEPCA1
SCHEMBL3538528 0.81 LMNA (0.41) LMNAANPEPRNPEPDNPEPALDH1A1
SCHEMBL1709869 0.80
SCHEMBL22134253 0.79 LMNA (0.50) LMNAANPEPRNPEPDNPEPALDH1A1
SCHEMBL18251527 0.78 GABRP (0.43) LMNACA1PKMRAB9ASMN1; SMN2
SCHEMBL20085628 0.78 PAOX (0.39) LMNAANPEPRNPEPDNPEPCA1
SCHEMBL12942537 0.78 LMNA (0.46) LMNAALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 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 (1 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 LMNA 1996/4885ANPEP 3046/4885RNPEP 2982/4885

“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.