SCHEMBL14639352

SCHEMBL14639352

C=CCN1CCC(c2cccc(O)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.63
DRD3 P35462 11/20 0.62
DRD4 P21917 10/20 0.56
HTR1A P08908 7/20 0.56
DRD1 P21728 7/20 0.56
DRD5 P21918 7/20 0.56
OPRM1 P35372 1/20 0.52
SIGMAR1 Q99720 3/20 0.49
NFKB1 P19838 1/20 0.49
PRCP P42785 1/20 0.49
EBP Q15125 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
SCHEMBL7349653 0.85 DRD3 (0.67) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL175904 0.81 SLC18A3 (0.57) DRD2DRD4SIGMAR1
SCHEMBL4819670 0.80 DRD2 (0.78) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL29914667 0.78 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL3454031 0.78 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4825019 0.77 DRD2 (0.69) DRD2DRD3SIGMAR1
SCHEMBL4826023 0.77 DRD2 (1.00) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL16829624 0.77 DRD2 (0.63) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8300543 0.76 DRD3 (0.78) DRD2DRD3DRD4HTR1ADRD1
Bromide SCHEMBL4951325 0.75 DRD2 (0.64) DRD2DRD3DRD4HTR1ADRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO DOLLE ROLAND E (US) 2015-02-12 US disclosed
EP-2734041-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO Adolor Corporation (US) 2014-05-28 EP disclosed
WO-2013012871-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO ADOLOR CORPORATION (US) 2013-01-24 WO 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-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO OPRK1, OPRM1, OPRD1 DRD2 250/4885DRD3 156/4885DRD4 486/4885

“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.