SCHEMBL6711337

SCHEMBL6711337

COc1ccc(C(=O)OCC2C3CCC2N(Cc2ccccc2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
SLC18A3 Q16572 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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 SCHEMBL6709530 0.99 SIGMAR1 (0.46) SIGMAR1CHRM2CHRM3DRD2DRD4
SCHEMBL6708297 0.90 DRD2 (0.47) DRD2DRD4CHRNB2CHRNA5CHRNA7
Hydrochloric Acid SCHEMBL6709532 0.89 DRD2 (0.46) DRD2DRD4CHRNB2CHRNA5CHRNA7
SCHEMBL6707480 0.79 DRD4 (0.46) DRD2DRD4CHRNA4
SCHEMBL6713113 0.79 PKM (0.40)
SCHEMBL6707465 0.79 ALDH1A1 (0.46) DRD2DRD4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6709461 0.79 DRD4 (0.46) DRD2DRD4CHRNA4
SCHEMBL6545137 0.78 SIGMAR1 (0.44) SIGMAR1
Hydrochloric Acid SCHEMBL6712863 0.78 PKM (0.40)
Hydrochloric Acid SCHEMBL6709587 0.78 ALDH1A1 (0.45) DRD2DRD4CHRNB2CHRNA4

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-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 SIGMAR1 390/4885CHRM2 15/4885CHRM3 20/4885

“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.