SCHEMBL4499173

SCHEMBL4499173

CC(C)(C)N(C(=O)O)[C@H]1CCN(C(=O)C(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 1/20 0.47
KLRK1 P26718 3/20 0.39
MICA Q29983 3/20 0.39
SLC6A9 P48067 2/20 0.37
EPHX1 P07099 1/20 0.37
CACNA1B Q00975 3/20 0.37
CCR2 P41597 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
NR1I2 O75469 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB5 P18084 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM1 P11229 1/20 0.36
LMNA P02545 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
SCHEMBL4498997 1.00 SLC6A2 (0.47) SLC6A2SLC6A4KLRK1MICASLC6A9
SCHEMBL4500522 0.95 SLC6A2 (0.48) SLC6A2SLC6A4KLRK1MICASLC6A9
SCHEMBL3959825 0.89 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL3953301 0.89 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL3960289 0.89 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL3954066 0.89 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL4493804 0.88 SLC6A2 (0.45) SLC6A2CACNA1B
SCHEMBL4497752 0.88 SLC6A2 (0.45) SLC6A2CACNA1B
SCHEMBL3960216 0.85 SLC6A2 (0.35) SLC6A2SLC6A4OPRD1ITGB3CHRM2
SCHEMBL3955382 0.85 SLC6A2 (0.35) SLC6A2SLC6A4OPRD1ITGB3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 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-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA SLC6A2 115/4885SLC6A4 82/4885KLRK1 4518/4885

“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.