SCHEMBL4382303

SCHEMBL4382303

CC(C)(C)OC(=O)C(C1CCNCC1)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CTSL P07711 2/20 0.34
PADI1 Q9ULC6 1/20 0.34
PADI4 Q9UM07 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PREP P48147 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2R P25116 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
CA2 P00918 1/20 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
SCHEMBL6988541 0.91 SIGMAR1 (0.35) HPGDPADI1PADI4SIGMAR1HRH3
SCHEMBL6951964 0.77 LMNA (0.39) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL27528184 0.77 CA2 (0.39) HPGDCTSLPADI1PADI4SIGMAR1
Hydrochloric Acid SCHEMBL27503484 0.75 CPN1 (0.42) SIGMAR1EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL1501924 0.75 CHEK1 (0.32)
SCHEMBL6586538 0.75 CTSK (0.43) HPGDEPHX1ALDH1A1CA2
SCHEMBL4565414 0.73 CPN1 (0.36) EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL412203 0.73 CPN1 (0.36) EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL27511091 0.73 CPN1 (0.36) EPHX1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL6989033 0.73 CACNA2D1 (0.45) SIGMAR1MEN1ALDH1A1KMT2A

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HPGD 349/4885CTSL 2328/4885PADI1 9/4885

“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.