SCHEMBL5508596

SCHEMBL5508596

CCC(=O)Nc1cccc(C2CCN(CCCNC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
MCHR1 Q99705 5/20 0.48
CCR3 P51677 3/20 0.46
HTR2A P28223 2/20 0.46
DRD4 P21917 1/20 0.45

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
SCHEMBL5515324 0.99 KCNH2 (0.49) KCNH2CACNA1IMCHR1CCR3HTR2A
SCHEMBL5888279 0.94 KCNH2 (0.49) KCNH2CACNA1IMCHR1CCR3HTR2A
SCHEMBL5888055 0.93 KCNH2 (0.48) KCNH2CACNA1IMCHR1CCR3HTR2A
SCHEMBL5888617 0.92 MCHR1 (0.57) KCNH2CACNA1IMCHR1
SCHEMBL5515396 0.91 DRD2 (0.53) MCHR1DRD4
SCHEMBL5888176 0.91 MCHR1 (0.57) MCHR1CCR3HTR2A
SCHEMBL5888200 0.90 MCHR1 (0.57) KCNH2CACNA1IMCHR1CCR3HTR2A
SCHEMBL5508559 0.90 MCHR1 (0.57) MCHR1
SCHEMBL5511517 0.90 DRD2 (0.53) KCNH2MCHR1DRD4
SCHEMBL5522152 0.89 MCHR1 (0.58) MCHR1

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 8 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-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 (4 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-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.