SCHEMBL3519954

SCHEMBL3519954

CCC1(O)CCCCC1(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
SLC6A4 P31645 9/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A3 Q01959 6/20 0.43
HSD11B1 P28845 1/20 0.40
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CHRNA1 P02708 2/20 0.37
CHRNB1 P11230 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3517808 0.83 HDAC4 (0.41) CCR2SLC6A4SLC6A2SLC6A3HSD11B1
SCHEMBL3518142 0.83 SLC6A4 (0.45) CCR2SLC6A4SLC6A2SLC6A3
SCHEMBL3520299 0.80 SLC6A3 (0.45) CCR2SLC6A4SLC6A2SLC6A3AKR1C1
SCHEMBL3518088 0.79 SLC6A3 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL3520001 0.73 KMT2A (0.44) SLC6A4SLC6A3HSD11B1MEN1KMT2A
SCHEMBL31687681 0.72 MAPT (0.48) CCR2HSD11B1TP53HCAR3HCAR2
SCHEMBL3110960 0.72 AKR1C1 (0.65) CCR2SLC6A4SLC6A2SLC6A3HSD11B1
SCHEMBL3518757 0.72 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4827909 0.71 AKR1C1 (0.62) CCR2SLC6A4SLC6A2SLC6A3HSD11B1
Hydrochloric Acid SCHEMBL28595251 0.71 AKR1C1 (0.62) CCR2SLC6A4SLC6A2SLC6A3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US disclosed
US-8877975-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 US disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 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 (4 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CCR2 854/4885SLC6A4 5/4885SLC6A2 2/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 CCR2 854/4885SLC6A4 5/4885SLC6A2 2/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CCR2 854/4885SLC6A4 5/4885SLC6A2 2/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 CCR2 854/4885SLC6A4 5/4885SLC6A2 2/4885

“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.