SCHEMBL21700370

SCHEMBL21700370

FC1(F)CC[C](c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.48
SLC6A3 Q01959 5/20 0.44
SLC6A4 P31645 3/20 0.44
CYP1B1 Q16678 1/20 0.42
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKR1C3 P42330 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
AKR1C2 P52895 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL9870874 0.81 AHR (0.65) AHRSLC6A3CYP1B1CYP3A4HPGD
SCHEMBL6472818 0.77 AHR (0.59) AHRSLC6A3SLC6A4CYP1B1HPGD
SCHEMBL4808905 0.75 AHR (0.56) AHRSLC6A3CYP1B1HPGDALDH1A1
SCHEMBL21700368 0.73 AHR (0.48) AHRSLC6A3SLC6A4CYP1B1HPGD
SCHEMBL12473824 0.72 AHR (0.52) AHRSLC6A3CYP1B1HPGDALDH1A1
SCHEMBL6075718 0.69 AHR (0.48) AHRSLC6A3SLC6A4CYP1B1SLC6A2
SCHEMBL137915 0.68 AHR (1.00) AHRCYP1B1CYP3A4ALDH1A1MAPT
SCHEMBL29769221 0.68 AHR (1.00) AHRCYP1B1CYP3A4ALDH1A1MAPT
SCHEMBL15517645 0.67 NISCH (0.49) AHRPTGS2PTGS1PGR
SCHEMBL15517005 0.67 PTGS2 (0.43) AHRSLC6A3SLC6A4PTGS2PTGS1

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 1 patent. 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

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-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 AHR 649/4885SLC6A3 4/4885SLC6A4 5/4885

“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.