SCHEMBL25769752

SCHEMBL25769752

CC(=O)N1CCCC(NCC(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
EPHX1 P07099 2/20 0.41
EPHX2 P34913 2/20 0.41
OPRK1 P41145 1/20 0.40
GAA P10253 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PIK3CD O00329 1/20 0.39
KMT2A Q03164 3/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL21290467 0.90 OPRK1 (0.47) EPHX1EPHX2OPRK1PIK3CDSMN1; SMN2
SCHEMBL21870612 0.90 OPRK1 (0.47) EPHX1EPHX2OPRK1PIK3CDSMN1; SMN2
SCHEMBL2899611 0.87 EPHX1 (0.41) CA1CA2CA12CA9EPHX1
SCHEMBL2897422 0.87 EPHX1 (0.41) CA1CA2CA12CA9EPHX1
SCHEMBL18236650 0.83 CA1 (0.45) CA1CA2CA12CA9EPHX1
SCHEMBL31017910 0.83 CA1 (0.47) CA1CA2CA12CA9EPHX1
SCHEMBL13741300 0.83 CA1 (0.47) CA1CA2CA12CA9EPHX1
SCHEMBL3516831 0.82 KDM4E (0.39) CA1CA2CA12CA9EPHX1
SCHEMBL1420850 0.81 ALDH1A1 (0.51) CA1CA2EPHX1KMT2ARAB9A
SCHEMBL2894275 0.81 ALDH1A1 (0.51) CA1CA2EPHX1KMT2ARAB9A

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CA1 1965/4885CA2 3474/4885CA12 998/4885

“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.