SCHEMBL5509918

SCHEMBL5509918

CC(C)C(=O)Nc1cccc(C2CCN(CCCNC(=O)C3(c4ccc(F)cc4)CCCC3)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
CACNA1I Q9P0X4 1/20 0.46
MCHR1 Q99705 1/20 0.43
HTR1A P08908 3/20 0.42
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
OPRL1 P41146 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL5517092 0.99 KCNH2 (0.47) KCNH2CACNA1IMCHR1HTR1ADRD4
SCHEMBL5515430 0.92 DRD2 (0.46) KCNH2MCHR1HTR1ADRD4DRD2
SCHEMBL5511457 0.92 DRD2 (0.46) KCNH2MCHR1HTR1ADRD4DRD2
SCHEMBL5509417 0.91 DRD2 (0.45) KCNH2MCHR1HTR1ADRD4DRD2
SCHEMBL5515034 0.89 DRD2 (0.45) KCNH2MCHR1HTR1ADRD4DRD2
SCHEMBL5510884 0.84 ADRA1D (0.58) MCHR1
SCHEMBL5522152 0.83 MCHR1 (0.58) MCHR1DRD2
SCHEMBL5508559 0.83 MCHR1 (0.57) MCHR1DRD2
SCHEMBL5515533 0.80 KCNH2 (0.47) KCNH2CACNA1IMCHR1DRD2
SCHEMBL5517610 0.80 DRD2 (0.51) KCNH2CACNA1IMCHR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-7105544-B2 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-09-12 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2006-02-23 US disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
US-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 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 (5 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-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KCNH2 1828/4885CACNA1I 3106/4885MCHR1 1/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KCNH2 1828/4885CACNA1I 3106/4885MCHR1 1/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R KCNH2 1828/4885CACNA1I 3106/4885MCHR1 1/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KCNH2 1828/4885CACNA1I 3106/4885MCHR1 1/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R KCNH2 1828/4885CACNA1I 3106/4885MCHR1 1/4885

“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.