SCHEMBL3733552

SCHEMBL3733552

NC(=O)C1CCCN1C(=O)[C@@H](c1ccccc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
DPP4 P27487 2/20 0.45
ACE P12821 1/20 0.42
RAB9A P51151 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42

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
SCHEMBL27828766 0.99 GAA (0.54) LMNAGAATSHRALDH1A1MEN1
SCHEMBL17220302 0.99 GAA (0.54) LMNAGAATSHRALDH1A1MEN1
SCHEMBL5994789 0.84 LMNA (0.49) LMNAGAATSHRALDH1A1MEN1
SCHEMBL6980126 0.83 AGTR2 (0.52) DPP4
SCHEMBL19497216 0.83 GAA (0.56) LMNAGAATSHRALDH1A1MEN1
SCHEMBL9912127 0.83 GAA (0.56) LMNAGAATSHRALDH1A1MEN1
SCHEMBL9912125 0.83 GAA (0.56) LMNAGAATSHRALDH1A1MEN1
SCHEMBL8520410 0.83 LMNA (0.51) LMNAGAATSHRALDH1A1MEN1
SCHEMBL13014753 0.83 KCNH2 (0.49) LMNAGAATSHRALDH1A1MEN1
SCHEMBL13570514 0.82 F2 (0.53) ALDH1A1ERAP2ERAP1LNPEPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885GAA 223/4885TSHR 4834/4885

“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.