SCHEMBL4055326

SCHEMBL4055326

O=C(NCCCBr)C(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.69
CNR2 P34972 6/20 0.65
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL7603553 0.84 CNR1 (0.71) CNR1CNR2HTTSMN1; SMN2
SCHEMBL4765547 0.83 HDAC3 (0.54) CNR1CNR2
SCHEMBL7599242 0.83 CNR1 (0.69) CNR1CNR2HTTSMN1; SMN2
SCHEMBL20803506 0.83 CNR1 (0.69) CNR1CNR2HTTSMN1; SMN2
SCHEMBL13963328 0.83 CNR1 (0.69) CNR1CNR2HTTSMN1; SMN2
SCHEMBL6436285 0.83 CNR1 (0.69) CNR1CNR2CYP3A4CYP2D6CYP2C19
SCHEMBL2334318 0.81 NAAA (0.72) CNR1CNR2CYP3A4CYP2D6CYP2C19
SCHEMBL17749476 0.81 CNR1 (0.67) CNR1CNR2HTTSMN1; SMN2
SCHEMBL6434483 0.80 NAAA (0.75) CNR1CNR2CYP3A4CYP2D6CYP2C19
SCHEMBL1231957 0.80 CNR1 (0.65) CNR1CNR2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
EP-1531816-B1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2009-01-21 EP disclosed
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 US disclosed
US-7335665-B2 Spirocyclic piperidines as MCH1 antagonists and uses thereof H - LUNDBECK A/S (DK) 2008-02-26 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-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 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 (6 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 CNR1 46/4885CNR2 115/4885CYP3A4 2068/4885
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 CNR1 70/4885CNR2 195/4885CYP3A4 2421/4885
US-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R CNR1 46/4885CNR2 115/4885CYP3A4 2068/4885
US-20060041139-A9 SUBSTITUTED ALKYL AMIDO PIPERIDINES MCHR1, MCHR2, MC1R CNR1 46/4885CNR2 115/4885CYP3A4 2068/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R CNR1 46/4885CNR2 115/4885CYP3A4 2068/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R CNR1 46/4885CNR2 115/4885CYP3A4 2068/4885

“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.