SCHEMBL3518014

SCHEMBL3518014

CN(C)C(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
TSHR P16473 1/20 0.58
HDAC4 P56524 2/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
EP300 Q09472 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
PRCP P42785 1/20 0.48
HTT P42858 1/20 0.47
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CHRM3 P20309 1/20 0.47
P2RX7 Q99572 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL15775680 0.95 SMN1; SMN2 (0.60) AKR1C1SMN1; SMN2TSHRHDAC4MEN1
SCHEMBL5379328 0.91 TSHR (0.63) AKR1C1SMN1; SMN2TSHRHDAC4EP300
SCHEMBL27708677 0.83 SMN1; SMN2 (0.43) AKR1C1SMN1; SMN2TSHRHDAC4MEN1
SCHEMBL3520379 0.83 HSD11B1 (0.58) HDAC4NCOA1HSD11B1ALDH1A1SLC6A2
SCHEMBL5356989 0.83 OPRM1 (0.57) AKR1C1SMN1; SMN2TSHRHDAC4SIGMAR1
SCHEMBL24203744 0.83 SMN1; SMN2 (0.56) AKR1C1SMN1; SMN2TSHRHDAC4MEN1
Hydrochloric Acid SCHEMBL7624556 0.81 OPRM1 (0.56) AKR1C1SMN1; SMN2TSHRSIGMAR1LMNA
SCHEMBL3516947 0.81 SLC6A4 (0.54) AKR1C1SMN1; SMN2TSHRHDAC4EP300
SCHEMBL1838291 0.79 AKR1C1 (0.68) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL66387 0.79 AKR1C1 (0.96) AKR1C1SMN1; SMN2TSHRHDAC4MEN1

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 10 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
CN-101394847-A Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC (US) 2009-03-25 CN 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 AKR1C1 3418/4885SMN1; SMN2 2392/4885TSHR 1461/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 AKR1C1 3418/4885SMN1; SMN2 2392/4885TSHR 1461/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 AKR1C1 3418/4885SMN1; SMN2 2392/4885TSHR 1461/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 AKR1C1 3418/4885SMN1; SMN2 2392/4885TSHR 1461/4885

“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.