SCHEMBL4131961

SCHEMBL4131961

NC(=O)c1cccc(-c2ccc(F)cc2CO[C@H]2CCNC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 6/20 0.48
CTNNB1 P35222 6/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
SUCNR1 Q9BXA5 3/20 0.45
MKNK1 Q9BUB5 1/20 0.44
DPP4 P27487 1/20 0.41
FAAH O00519 3/20 0.41
CHRM3 P20309 2/20 0.40
PARP1 P09874 1/20 0.39
CHRM1 P11229 1/20 0.38

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
SCHEMBL4131967 1.00 BCL9 (0.48) BCL9CTNNB1SLC6A2SLC6A4SLC6A3
SCHEMBL4138373 0.90 SLC6A2 (0.46) BCL9CTNNB1SLC6A2SLC6A4SLC6A3
SCHEMBL4138369 0.90 SLC6A2 (0.46) BCL9CTNNB1SLC6A2SLC6A4SLC6A3
SCHEMBL4124171 0.86 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2SUCNR1
SCHEMBL4124176 0.86 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2SUCNR1
SCHEMBL4138033 0.85 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2SUCNR1
SCHEMBL4138036 0.85 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2SUCNR1
SCHEMBL4126668 0.83 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CHRM3
SCHEMBL4126675 0.83 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CHRM3
SCHEMBL4143744 0.82 KCNH2 (0.51) BCL9CTNNB1SLC6A2SLC6A4SLC6A3

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-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 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-20090215857-A1 Therapeutic Pyrrolidines OPRL1, HTR5A, OPRD1 BCL9 1878/4885CTNNB1 3931/4885SLC6A2 28/4885

“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.