SCHEMBL3207570

SCHEMBL3207570

CN1CCC2(c3ccccc3)CC2C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
OPRM1 P35372 4/20 0.47
DRD4 P21917 1/20 0.47
OPRD1 P41143 4/20 0.47
OPRK1 P41145 3/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
MRGPRX2 Q96LB1 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL19625795 0.86 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3OPRM1DRD4
SCHEMBL11246658 0.83 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11246645 0.83 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11463570 0.82 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11535102 0.82 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11185245 0.82 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11185241 0.82 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11185531 0.82 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
Bromide SCHEMBL11252035 0.82 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
Bromide SCHEMBL11266393 0.82 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
EP-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 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 (2 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-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 SLC6A2 1/4885SLC6A4 11/4885SLC6A3 3/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 SLC6A2 1/4885SLC6A4 14/4885SLC6A3 3/4885

“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.