SCHEMBL6399998

SCHEMBL6399998

O=C1/C=C\CC(Cc2ccccn2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
LMNA P02545 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
NR3C1 P04150 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL6400001 1.00 HPGD (0.40) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6396647 0.84 HPGD (0.41) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6396650 0.84 HPGD (0.41) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6396653 0.84 HPGD (0.41) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6399683 0.80 HPGD (0.46) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6398880 0.79 SIGMAR1 (0.44) DDB1CRBN
SCHEMBL6398882 0.79 SIGMAR1 (0.44) DDB1CRBN
SCHEMBL18705902 0.77 HPGD (0.44) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL1515203 0.76 HPGD (0.49) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6398671 0.76 HPGD (0.48) HPGDRECQLMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US claimed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US claimed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP claimed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP claimed
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 HPGD 163/4885RECQL 3049/4885MEN1 4186/4885

“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.