SCHEMBL6747313

SCHEMBL6747313

COC(=O)CCC1C2CCCC1CNC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
EPHX2 P34913 4/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA7 P36544 3/20 0.40
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
FHIT P49789 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL522560 0.79 TSHR (0.44) CHRNB2CHRNA4EPHX2CHRNB4CHRNA3
SCHEMBL524490 0.79 TSHR (0.44) CHRNB2CHRNA4EPHX2CHRNB4CHRNA3
SCHEMBL522561 0.79 TSHR (0.44) CHRNB2CHRNA4EPHX2CHRNB4CHRNA3
SCHEMBL7149632 0.79 FOLH1 (0.35) CHRNB2CHRNA4EPHX2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31735305 0.73 TSHR (0.46) CHRNB2CHRNA4EPHX2CHRNB4CHRNA3
SCHEMBL697966 0.72 TSHR (0.50) EPHX2TSHRMEN1KMT2A
SCHEMBL27325446 0.70 TSHR (0.43) EPHX2TSHRMEN1KMT2A
SCHEMBL6749042 0.70 CCR5 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1037020 0.70 KMT2A (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL31364853 0.70 SMN1; SMN2 (0.47) CHRNB2CHRNA4EPHX2CHRNB4CHRNA3

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 CHRNB2 3548/4885CHRNA4 2207/4885EPHX2 1799/4885

“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.