SCHEMBL9912154

SCHEMBL9912154

CCN1CCC(c2ccsc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC18A3 Q16572 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD3 P35462 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9910975 0.80 QDPR (0.47) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL9654191 0.76 CCR2 (0.42) DRD2SLC18A3DRD3SLC6A4
SCHEMBL9655545 0.76 SLC18A3 (0.41) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL1003503 0.74 DRD2 (0.73) DRD2SLC18A3DRD3
Hydrochloric Acid SCHEMBL9811479 0.74 SIGMAR1 (0.50) DRD2SLC18A3ALDH1A1
SCHEMBL18825946 0.73 KDR (0.41) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL3089324 0.73
SCHEMBL81641 0.73 DRD2 (0.54) DRD2SLC18A3HRH3DRD3SLC6A4
SCHEMBL1812772 0.71 GAA (0.53) DRD2SLC18A3HRH3DRD3SLC6A4
SCHEMBL18193022 0.71 DRD2 (0.50) DRD2SLC18A3HRH3SLC6A4

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-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 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-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 DRD2 2823/4885CHRM2 214/4885CHRM4 323/4885

“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.