SCHEMBL4131949

SCHEMBL4131949

Fc1ccc(-c2cccc(F)c2F)c(CO[C@H]2CCNC2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.55
SLC6A4 P31645 7/20 0.55
SLC6A3 Q01959 7/20 0.55
KCNH2 Q12809 5/20 0.55
HTR1A P08908 7/20 0.41
F10 P00742 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
HTR2A P28223 2/20 0.36
RPS6KA2 Q15349 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
HTR4 Q13639 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL4131956 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4131983 0.91 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4131990 0.91 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4138932 0.89 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4138924 0.89 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4136515 0.88 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4142187 0.88 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4142183 0.88 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4139590 0.87 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2HTR1A
SCHEMBL4139586 0.87 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 US claimed
EP-1931653-A2 THERAPEUTIC PYRROLIDINES Pfizer Products Inc. (US) 2008-06-18 EP claimed
WO-2007031828-A2 THERAPEUTIC PYRROLIDINES PFIZER PRODUCTS INC. (US) 2007-03-22 WO claimed
US-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 US disclosed
EP-1931653-A2 THERAPEUTIC PYRROLIDINES Pfizer Products Inc. (US) 2008-06-18 EP disclosed
WO-2007031828-A2 THERAPEUTIC PYRROLIDINES PFIZER PRODUCTS INC. (US) 2007-03-22 WO 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 SLC6A2 28/4885SLC6A4 18/4885SLC6A3 19/4885

“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.