SCHEMBL9912191

SCHEMBL9912191

CCN1CCCC(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.65
DRD3 P35462 2/20 0.64
DRD1 P21728 1/20 0.64
DRD4 P21917 1/20 0.64
DRD5 P21918 1/20 0.64
SLC18A3 Q16572 4/20 0.56
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SIGMAR1 Q99720 2/20 0.51
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.49

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
Water SCHEMBL11134572 0.93 DRD2 (0.61) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1003503 0.93 DRD2 (0.73) DRD2DRD3DRD1DRD4DRD5
SCHEMBL10644222 0.88 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12125697 0.88 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12125694 0.88 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL23374660 0.84 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9912160 0.84 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22307922 0.84 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12319791 0.83 DRD2 (0.60) DRD2DRD3SLC18A3CARM1PRMT6
SCHEMBL5795208 0.81 SLC18A3 (0.57) DRD2DRD3DRD1DRD4DRD5

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 2823/4885DRD3 3431/4885DRD1 3770/4885

“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.