SCHEMBL3521865

SCHEMBL3521865

O=CC1(c2cccc(Cl)c2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 4/20 0.53
SLC6A2 P23975 2/20 0.49
CCR2 P41597 1/20 0.40
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
PGR P06401 2/20 0.38
TP53 P04637 1/20 0.36
CYP1A2 P05177 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
SCHEMBL15862757 0.98 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2CCR2DPP4
SCHEMBL13107026 0.95 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CCR2DPP4
SCHEMBL31375623 0.95 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CCR2DPP4
SCHEMBL3906658 0.91 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2CCR2DPP4
SCHEMBL15043705 0.80 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2CCR2DPP4
SCHEMBL434934 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2HDAC3HDAC1
SCHEMBL14893865 0.79 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2CCR2HTR2C
SCHEMBL16691396 0.79 HDAC4 (0.49) CCR2HTR2CHTR2AHSD11B1
SCHEMBL10879701 0.78 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2PSEN1PSEN2
SCHEMBL1299548 0.77 AKR1C1 (0.45) SLC6A4SLC6A3SLC6A2DPP4

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 SLC6A4 5/4885SLC6A3 4/4885SLC6A2 2/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885SLC6A2 2/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885SLC6A2 2/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A4 5/4885SLC6A3 4/4885SLC6A2 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.