SCHEMBL21726313

SCHEMBL21726313

COC(=O)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD11B1 P28845 3/20 0.49
OPRM1 P35372 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
HDAC1 Q13547 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL4944766 0.98 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL31117190 0.95 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL20601546 0.91 OPRM1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL3485510 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTLMNAOPRM1
SCHEMBL31368038 0.84 OPRM1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL11047897 0.84 OPRM1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL5639097 0.83 HDAC4 (0.61) ALDH1A1SMN1; SMN2MAPTLMNAHSD11B1
SCHEMBL3049424 0.83 HDAC1 (0.51) ALDH1A1MAPTLMNAOPRM1L3MBTL1
SCHEMBL8587646 0.83 KDM4E (0.57) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL23163646 0.83 HRH3 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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 ALDH1A1 1474/4885SMN1; SMN2 2392/4885MAPT 969/4885

“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.