SCHEMBL4402465

SCHEMBL4402465

Oc1ccc2c(c1)CCC2C1CCCN1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
SHBG P04278 1/20 0.45
HSD11B1 P28845 1/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 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
SCHEMBL1873115 0.83 DRD2 (0.48) DRD2HSD11B1
SCHEMBL9964031 0.83 DRD2 (0.48) DRD2HSD11B1
SCHEMBL1948828 0.83 DRD2 (0.48) DRD2HSD11B1
SCHEMBL1948829 0.83 DRD2 (0.48) DRD2HSD11B1
SCHEMBL16636006 0.82 SRD5A1 (0.47) DRD2HSD11B1
SCHEMBL15996614 0.78 DRD2 (0.49) DRD2HSD11B1ESR1ESR2
SCHEMBL22260050 0.78 DRD2 (0.51) DRD2HSD11B1
SCHEMBL18032810 0.78 DRD2 (0.51) DRD2HSD11B1
Bromide SCHEMBL9341130 0.76 ESR1 (0.43) DRD2SHBGESR1ESR2
SCHEMBL16635796 0.73 PRCP (0.47) DRD2HSD11B1

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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, INMT, INA DRD2 213/4885SHBG 4601/4885HSD11B1 607/4885

“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.