SCHEMBL4124153

SCHEMBL4124153

Cc1cc(-c2ccccc2CO[C@H]2CCNC2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
BCL9 O00512 4/20 0.44
CTNNB1 P35222 4/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
REN P00797 2/20 0.40
CYP3A4 P08684 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL4124159 1.00 KCNH2 (0.44) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4124516 0.90 SLC6A2 (0.47) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4137447 0.90 SLC6A2 (0.47) KCNH2SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL4124512 0.90 SLC6A2 (0.47) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4137440 0.90 SLC6A2 (0.47) KCNH2SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL4137419 0.88 SLC6A2 (0.50) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4137423 0.88 SLC6A2 (0.50) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4124510 0.86 CHRM1 (0.47) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4124503 0.86 CHRM1 (0.47) KCNH2SLC6A2SLC6A4SLC6A3BCL9
SCHEMBL4136227 0.85 SLC6A2 (0.44) KCNH2SLC6A2SLC6A4SLC6A3

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 KCNH2 673/4885SLC6A2 28/4885SLC6A4 18/4885

“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.