SCHEMBL3518757

SCHEMBL3518757

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A2 P23975 1/20 0.42
APP P05067 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
PDE2A O00408 2/20 0.36
THRB P10828 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL3521192 0.83 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2PDE2AMEN1
SCHEMBL3517808 0.82 HDAC4 (0.41) SLC6A3SLC6A4SLC6A2OPRM1MEN1
SCHEMBL3520001 0.80 KMT2A (0.44) SLC6A3SLC6A4MEN1KMT2ATSHR
SCHEMBL3518142 0.76 SLC6A4 (0.45) SLC6A3SLC6A4SLC6A2
SCHEMBL3520299 0.75 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2APPAKR1C3
SCHEMBL3518088 0.75 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL3519954 0.72 CCR2 (0.44) SLC6A3SLC6A4SLC6A2MEN1KMT2A
SCHEMBL31687687 0.71 MAOA (0.44) APPOPRM1OPRL1THRBAKR1C3
SCHEMBL31687664 0.70 APP (0.43) APPOPRM1OPRL1THRBAKR1C3
SCHEMBL31687618 0.70 APP (0.43) APPOPRM1OPRL1THRBMEN1

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