SCHEMBL15466748

SCHEMBL15466748

O=C1C2CC3C[C@H](C2)N(C(=O)c2ccccc2)[C@H]1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.39
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
RIPK1 Q13546 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL15471017 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL699162 0.80 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15466574 0.69 USP2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15471014 0.69 USP2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12256049 0.64 TSHR (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18151912 0.64 ELOVL6 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18151944 0.64 ELOVL6 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14172576 0.64 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21162194 0.64 ELOVL6 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17350944 0.63 SLC18A3 (0.59) ALDH1A1KDM4EHSD11B1SIGMAR1ELOVL6

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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US claimed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 CHRNB2 4779/4885CHRNB4 4758/4885CHRNA3 4487/4885

“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.