SCHEMBL6000445

SCHEMBL6000445

CC(C)C(=O)Nc1c(F)cc(F)c(C2CCN(CCCN(C(=O)Cc3ccccc3)C(=O)Cc3ccccc3)CC2)c1F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CCR5 P51681 2/20 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
SCHEMBL5508422 0.83 DRD2 (0.48) UBE2MDCUN1D1
SCHEMBL5923658 0.83 DRD2 (0.48)
SCHEMBL4768518 0.81 DRD2 (0.47) CCR5
SCHEMBL4775934 0.80 ADRA1D (0.55)
SCHEMBL5923679 0.79 DRD2 (0.44)
SCHEMBL5888061 0.79 DRD2 (0.51)
SCHEMBL5888375 0.78 UBE2M (0.40) UBE2MDCUN1D1CCR5
SCHEMBL5923766 0.78 DRD2 (0.41) CCR5
SCHEMBL5888272 0.77 DRD2 (0.44) CCR5
SCHEMBL4775593 0.75 ADRA1D (0.51)

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-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 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 (2 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-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R UBE2M 3996/4885DCUN1D1 602/4885CCR5 230/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R UBE2M 3996/4885DCUN1D1 602/4885CCR5 230/4885

“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.