SCHEMBL4769696

SCHEMBL4769696

CCCC(=O)Nc1cc(C2CCN(CCCN)CC2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRA1A P35348 2/20 0.44
DRD2 P14416 4/20 0.43
CCR3 P51677 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CCR2 P41597 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4768317 0.84 DRD2 (0.54) ADRA1ADRD2CCR3MCHR1
SCHEMBL5923751 0.84 DRD2 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19HDAC1
SCHEMBL5515446 0.82 CCR2 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19HDAC1
SCHEMBL4768059 0.82 DRD2 (0.56) DRD2MCHR1DRD4DRD3
SCHEMBL5508560 0.82 ADRA1D (0.54) ADRA1AADRA1DADRA1B
SCHEMBL5923753 0.82 ADRA1D (0.58) ADRA1AADRA1DADRA1B
SCHEMBL5511526 0.81 ADRA1A (0.53) ADRA1ACCR2ADRA1DADRA1B
SCHEMBL5511304 0.81 ADRA1A (0.62) ADRA1AADRA1DADRA1B
SCHEMBL5521890 0.81 MEN1 (0.54) MEN1KMT2ADRD2DRD4
SCHEMBL5999721 0.81 POLB (0.42) CYP3A4CYP2D6CYP2C9CYP2C19HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP 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
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO 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 CYP3A4 2068/4885CYP2D6 1637/4885CYP2C9 2325/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R CYP3A4 2068/4885CYP2D6 1637/4885CYP2C9 2325/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R CYP3A4 2068/4885CYP2D6 1637/4885CYP2C9 2325/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R CYP3A4 2068/4885CYP2D6 1637/4885CYP2C9 2325/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R CYP3A4 2068/4885CYP2D6 1637/4885CYP2C9 2325/4885

“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.