SCHEMBL6505624

SCHEMBL6505624

O=C([C@@H](c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.48
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM1 P11229 1/20 0.42
HSD11B1 P28845 1/20 0.41
TACR1 P25103 1/20 0.40
MGLL Q99685 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3953934 1.00 SLC6A2 (0.48) SLC6A2CYP2D6CYP2C19NPSR1CHRM1
SCHEMBL3956015 1.00 SLC6A2 (0.48) SLC6A2CYP2D6CYP2C19NPSR1CHRM1
SCHEMBL27664327 1.00 SLC6A2 (0.48) SLC6A2CYP2D6CYP2C19NPSR1CHRM1
SCHEMBL3955051 0.93 SLC6A2 (0.46) SLC6A2HSD11B1MGLLL3MBTL3L3MBTL1
SCHEMBL3953255 0.89 SLC6A2 (0.43) SLC6A2CYP2D6CYP2C19NPSR1CHRM1
SCHEMBL3953408 0.89 SLC6A2 (0.51) SLC6A2HSD11B1MGLL
SCHEMBL3953812 0.89 SLC6A2 (0.46) SLC6A2CHRM1
SCHEMBL3952423 0.88 SLC6A2 (0.45) SLC6A2CYP2C19CHRM1L3MBTL3L3MBTL1
SCHEMBL3955849 0.87 L3MBTL3 (0.48) CYP2D6CYP2C19NPSR1CHRM1L3MBTL3
SCHEMBL3960677 0.85 SLC6A2 (0.47) SLC6A2CHRM1TACR1L3MBTL3L3MBTL1

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-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2005-08-25 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-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA SLC6A2 71/4885CYP2D6 204/4885CYP2C19 84/4885

“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.