SCHEMBL13014755

SCHEMBL13014755

CC(C)NC(=O)C1CCCN1C(=O)C(c1ccccc1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49
KCNH2 Q12809 1/20 0.48
CFD P00746 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
XIAP P98170 1/20 0.44
MLX Q9UH92 1/20 0.44
FKBP1A P62942 1/20 0.44
ELANE P08246 1/20 0.43
TACR1 P25103 3/20 0.43

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
SCHEMBL13014753 0.99 KCNH2 (0.49) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL13014702 0.90 ALDH1A1 (0.53) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL8520410 0.89 LMNA (0.51) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL5994789 0.88 LMNA (0.49) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL17527195 0.86 KCNH2 (0.56) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL17220302 0.83 GAA (0.54) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL27828766 0.83 GAA (0.54) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL13014739 0.82 DPP4 (0.58) KCNH2CFDCYP3A4CYP2D6CYP2C9
SCHEMBL3733552 0.82 LMNA (0.52) LMNAMEN1ALDH1A1KMT2ATSHR
SCHEMBL19497218 0.80 GAA (0.56) LMNAMEN1ALDH1A1KMT2ATSHR

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 3 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-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885MEN1 4681/4885ALDH1A1 2858/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885MEN1 4681/4885ALDH1A1 2858/4885

“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.