SCHEMBL6709525

SCHEMBL6709525

CN1CC2CCC1C2COC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.55
CHRNA7 P36544 4/20 0.55
CHRNA4 P43681 4/20 0.55
CHRNA5 P30532 3/20 0.55
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
NPC1 O15118 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
TSHR P16473 1/20 0.42

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
Hydrochloric Acid SCHEMBL6712904 0.99 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL6708297 0.81 DRD2 (0.47) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
Hydrochloric Acid SCHEMBL6709532 0.80 DRD2 (0.46) CHRNB2CHRNA7CHRNA4CHRNA5NPC1
Hydrochloric Acid SCHEMBL6709530 0.74 SIGMAR1 (0.46) CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL8045838 0.71 KCNH2 (0.57) CHRNA7
SCHEMBL8045835 0.71 KCNH2 (0.57) CHRNA7
SCHEMBL6707464 0.70 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL8447322 0.70 CARM1 (0.61) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
SCHEMBL532785 0.70 CARM1 (0.61) CHRNB2CHRNA7CHRNA4CHRNA5CARM1
Hydrochloric Acid SCHEMBL6709597 0.69 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNA5CARM1

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-20040110788-A1 Nicotinic acetylcholine receptor ligands MERCK PATENT GMBH (DE) 2004-06-10 US claimed
US-20040110788-A1 Nicotinic acetylcholine receptor ligands MERCK PATENT GMBH (DE) 2004-06-10 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-20040110788-A1 Nicotinic acetylcholine receptor ligands CHRNA1, CHRNA2, CHRNA10 CHRNB2 11/4885CHRNA7 8/4885CHRNA4 13/4885

“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.