SCHEMBL4508910

SCHEMBL4508910

CC(C)(C)N(C(=O)O)C1CCN(C(=O)C(c2cccc(Oc3ccccc3)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS1 P23219 1/20 0.36
CHRM4 P08173 1/20 0.36
ALOX5 P09917 1/20 0.35
GHSR Q92847 2/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL4510820 0.92 ALDH1A1 (0.40) LMNACHRM2CHRM1CHRM3SLC6A2
SCHEMBL4503886 0.90 SLC6A2 (0.47) SLC6A2
SCHEMBL3961040 0.86 OPRD1 (0.38) LMNACHRM2CHRM1CHRM3SLC6A2
SCHEMBL3960353 0.86 SLC6A2 (0.44) LMNASLC6A2SLC6A4MAPK1
SCHEMBL3957574 0.86 CHRM3 (0.35) LMNACHRM2CHRM1CHRM3SLC6A2
SCHEMBL4500522 0.86 SLC6A2 (0.48) LMNACHRM2CHRM1CHRM3SLC6A2
SCHEMBL4497752 0.85 SLC6A2 (0.45) SLC6A2
SCHEMBL4493804 0.85 SLC6A2 (0.45) SLC6A2
SCHEMBL3956007 0.83 CNR1 (0.34) LMNACHRM2CHRM1CHRM3SLC6A2
SCHEMBL3957323 0.83 SLC6A3 (0.38) 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 LMNA 1130/4885CHRM2 482/4885CHRM1 659/4885

“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.