SCHEMBL7736611

SCHEMBL7736611

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCc3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
CEL P19835 1/20 0.32
CNR2 P34972 3/20 0.31
KDM1A O60341 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CNR1 P21554 2/20 0.30
TLR4 O00206 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL7736601 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CELCNR2
SCHEMBL7736605 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CELCNR2
SCHEMBL16501541 0.96 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CELKDM1A
SCHEMBL7736265 0.95 CTSL (0.37) SLC6A2SLC6A4SLC6A3CELCTSL
SCHEMBL7736269 0.95 CTSL (0.37) SLC6A2SLC6A4SLC6A3CELCTSL
SCHEMBL7736263 0.95 CTSL (0.37) SLC6A2SLC6A4SLC6A3CELCTSL
SCHEMBL9399040 0.95 CNR2 (0.35) SLC6A2SLC6A4SLC6A3CELCNR2
SCHEMBL9399033 0.95 CNR2 (0.35) SLC6A2SLC6A4SLC6A3CELCNR2
SCHEMBL9399028 0.95 CNR2 (0.35) SLC6A2SLC6A4SLC6A3CELCNR2
SCHEMBL15355216 0.92 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CELCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458433-B1 ISOTOPE REPLACEMENT; OPTICAL DISPLAY CHISSO CORPORATION (JP) 2002-10-01 US disclosed
US-20020038858-A1 Isotope replacement; optical display JNC CORPORATION (JP) 2002-04-04 US disclosed
EP-0949232-A1 DIFLUOROPHENYL DERIVATIVES, LIQUID-CRYSTAL COMPOUNDS, AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1999-10-13 EP disclosed
US-5346647-A Cyclohexane compounds used in liquid crystalline mixtures HOFFMANN-LA ROCHE INC. (US) 1994-09-13 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 (1 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-20020038858-A1 Isotope replacement; optical display IRS1, FES, IK SLC6A2 3221/4885SLC6A4 2666/4885SLC6A3 1264/4885

“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.