SCHEMBL4500522

SCHEMBL4500522

CC(C)(C)N(C(=O)O)C1CCN(C(=O)C(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 1/20 0.48
CACNA1B Q00975 2/20 0.39
NR1I2 O75469 1/20 0.39
KLRK1 P26718 3/20 0.38
MICA Q29983 3/20 0.38
RAET1L Q5VY80 2/20 0.38
EPHX1 P07099 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM1 P11229 1/20 0.37
LMNA P02545 1/20 0.37
CHRM4 P08173 1/20 0.36
SOS1 Q07889 1/20 0.36
SLC6A9 P48067 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
SCHEMBL4499173 0.95 SLC6A2 (0.47) SLC6A2SLC6A4CACNA1BNR1I2KLRK1
SCHEMBL4498997 0.95 SLC6A2 (0.47) SLC6A2SLC6A4CACNA1BNR1I2KLRK1
SCHEMBL3960353 0.88 SLC6A2 (0.44) SLC6A2SLC6A4LMNA
SCHEMBL3957574 0.88 CHRM3 (0.35) SLC6A2SLC6A4OPRD1CHRM2CHRM3
SCHEMBL4503886 0.88 SLC6A2 (0.47) SLC6A2CACNA1B
SCHEMBL4508910 0.86 LMNA (0.38) SLC6A2SLC6A4CHRM2CHRM3CHRM1
SCHEMBL3961040 0.84 OPRD1 (0.38) SLC6A2SLC6A4OPRD1CHRM2CHRM3
SCHEMBL3956007 0.84 CNR1 (0.34) SLC6A2SLC6A4OPRK1CHRM2CHRM3
SCHEMBL3957323 0.84 SLC6A3 (0.38) SLC6A2SLC6A4
SCHEMBL4564644 0.83 SLC6A2 (0.66) SLC6A2SLC6A4

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 82/4885CACNA1B 1170/4885

“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.