SCHEMBL5658996

SCHEMBL5658996

Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
SIGMAR1 Q99720 1/20 0.54
MCHR1 Q99705 2/20 0.53
CYP2J2 P51589 1/20 0.49
GAA P10253 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL5661535 0.91 DRD2 (0.66) DRD2SIGMAR1MCHR1GAA
SCHEMBL5662302 0.85 DRD2 (0.70) DRD2MCHR1
SCHEMBL5663524 0.84 DRD2 (0.77) DRD2MCHR1
SCHEMBL5664249 0.83 DRD2 (0.62) DRD2SIGMAR1MCHR1
SCHEMBL6159068 0.82 DRD2 (0.81) DRD2SIGMAR1MCHR1HRH3
SCHEMBL5662225 0.82 DRD2 (0.66) DRD2MCHR1
SCHEMBL5662127 0.82 DRD2 (0.78) DRD2
SCHEMBL5661884 0.82 DRD2 (0.72) DRD2SIGMAR1MCHR1GAA
SCHEMBL5661233 0.80 DRD2 (0.58) DRD2MCHR1
SCHEMBL5662232 0.78 DRD2 (0.71) DRD2SIGMAR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
CN-1671386-A Substituted anilinic piperidines as MCH selective antagonists LUNDBECK & CO AS H (DK) 2005-09-21 CN disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO disclosed
EP-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R DRD2 271/4885SIGMAR1 159/4885MCHR1 1/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R DRD2 119/4885SIGMAR1 57/4885MCHR1 1/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R DRD2 612/4885SIGMAR1 230/4885MCHR1 1/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R DRD2 271/4885SIGMAR1 159/4885MCHR1 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.