SCHEMBL3517808

SCHEMBL3517808

CCC1(O)CCCCC1(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
CCR2 P41597 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD11B1 P28845 4/20 0.38
SLC6A2 P23975 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
OPRM1 P35372 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3518142 0.85 SLC6A4 (0.45) SLC6A4SLC6A3CCR2SLC6A2
SCHEMBL3519954 0.83 CCR2 (0.44) SLC6A4SLC6A3CCR2HSD11B1SLC6A2
SCHEMBL3520001 0.83 KMT2A (0.44) SLC6A4SLC6A3ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL3518757 0.82 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL3520299 0.81 SLC6A3 (0.45) SLC6A4SLC6A3CCR2ALDH1A1SLC6A2
SCHEMBL3521192 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL3518088 0.78 SLC6A3 (0.43) SLC6A4SLC6A3ALDH1A1SLC6A2OPRM1
SCHEMBL17764152 0.71 CCR2 (0.44) HDAC4SLC6A4SLC6A3CCR2ALDH1A1
SCHEMBL13267655 0.69 HDAC4 (0.57) HDAC4SLC6A4SLC6A3ALDH1A1HSD11B1
SCHEMBL503762 0.69 AKR1C1 (0.68) HDAC4ALDH1A1HSD11B1MEN1KMT2A

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 7 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
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 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 (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 HDAC4 1582/4885SLC6A4 5/4885SLC6A3 4/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 HDAC4 1582/4885SLC6A4 5/4885SLC6A3 4/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 HDAC4 1582/4885SLC6A4 5/4885SLC6A3 4/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 HDAC4 1582/4885SLC6A4 5/4885SLC6A3 4/4885

“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.