SCHEMBL4137347

SCHEMBL4137347

COc1cccc(-c2ccc(F)cc2CO[C@H]2CCNC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
NAAA Q02083 4/20 0.43
NMT1 P30419 1/20 0.42
CYP2C19 P33261 2/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ABL2 P42684 1/20 0.39
FYN P06241 1/20 0.39
GNRHR P30968 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 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
SCHEMBL4137350 1.00 KCNH2 (0.51) KCNH2SLC6A2SLC6A4SLC6A3NAAA
SCHEMBL4127012 0.90 SLC6A2 (0.49) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4127003 0.90 SLC6A2 (0.49) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4124171 0.89 SLC6A2 (0.54) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4124176 0.89 SLC6A2 (0.54) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4142178 0.88 SLC6A2 (0.54) KCNH2SLC6A2SLC6A4SLC6A3NAAA
SCHEMBL4142167 0.88 SLC6A2 (0.54) KCNH2SLC6A2SLC6A4SLC6A3NAAA
SCHEMBL4124497 0.88 SLC6A4 (0.49) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4124491 0.88 SLC6A4 (0.49) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4145171 0.87 SLC6A2 (0.50) 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.