SCHEMBL4135638

SCHEMBL4135638

CCC(=O)C1=C(c2ccc(F)cc2)CC2CC(O)[C@H]1N2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 3/20 0.38
CHRNA7 P36544 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PTGS2 P35354 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
SCHEMBL4135642 1.00 SLC6A3 (0.42) SLC6A3SLC6A4CHRNA7HTTMEN1
SCHEMBL4151625 0.88 SLC6A3 (0.35) SLC6A3SLC6A4
SCHEMBL4145963 0.81 SLC6A3 (0.46) SLC6A3SLC6A4
SCHEMBL4516283 0.80 SLC6A3 (0.39) SLC6A3SLC6A4
SCHEMBL4516285 0.80 SLC6A3 (0.39) SLC6A3SLC6A4
SCHEMBL4520081 0.80 SLC6A3 (0.39) SLC6A3SLC6A4
SCHEMBL3421449 0.77 SLC6A3 (0.39) SLC6A3SLC6A4CHRNA7
SCHEMBL4135078 0.77 SLC6A3 (0.39) SLC6A3SLC6A4CHRNA7
SCHEMBL4144769 0.74 SLC6A3 (0.44) SLC6A3SLC6A4CHRNA7HTTMEN1
SCHEMBL4147555 0.74 SLC6A3 (0.44) SLC6A3SLC6A4CHRNA7HTTMEN1

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-20090208415-A1 Tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-20 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-20090208415-A1 Tropane compounds TPM3, TPM4, ADRA2C SLC6A3 196/4885SLC6A4 217/4885CHRNA7 49/4885

“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.