SCHEMBL4127003

SCHEMBL4127003

CCOc1cccc(-c2ccc(F)cc2CO[C@H]2CCNC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
KCNH2 Q12809 4/20 0.49
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.40
PTGS2 P35354 1/20 0.38
F10 P00742 3/20 0.38
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL4127012 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL4137350 0.90 KCNH2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4137347 0.90 KCNH2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4135578 0.89 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL4135582 0.89 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL4126632 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL4126637 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL4124171 0.87 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2F10
SCHEMBL4124176 0.87 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2F10
SCHEMBL4124497 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3KCNH2

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 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.