SCHEMBL13701374

SCHEMBL13701374

CC(C)CCC(=O)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CTSD P07339 1/20 0.38
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNJ11 Q14654 1/20 0.35
TRPA1 O75762 1/20 0.33
NAMPT P43490 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31

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
Hydrochloric Acid SCHEMBL6242113 0.83 KDM4C (0.41)
SCHEMBL14453257 0.83 CA1 (0.44) CA1CTSDP2RX7ALDH1A1NAMPT
SCHEMBL5690888 0.82 CA1 (0.52) CA1CTSDP2RX7ALDH1A1TRPA1
SCHEMBL3072568 0.79 KDM4E (0.36) CTSD
SCHEMBL13302583 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL25695856 0.76 CA1 (0.46) CA1CTSDP2RX7ALDH1A1TRPA1
SCHEMBL10734663 0.76
SCHEMBL3074990 0.75 HDAC3 (0.42) ALDH1A1
SCHEMBL3068330 0.75 HDAC3 (0.36) ALDH1A1
SCHEMBL20711252 0.74 CA1 (0.44) CA1CTSDP2RX7ALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 CA1 683/4885CTSD 180/4885P2RX7 3293/4885

“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.