SCHEMBL5761228

SCHEMBL5761228

CN1CCN(c2ccccc2OC2CCCN(c3ccc(N4CCOC4=O)cc3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD3 P35462 2/20 0.40
SLC9A3 P48764 1/20 0.39
KDM1A O60341 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ROCK2 O75116 2/20 0.35
MCHR1 Q99705 1/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5762942 0.86 ROCK2 (0.49) DRD2DRD3KDM4EMAPTROCK2
SCHEMBL5760906 0.85 KDM4E (0.52) DRD2DRD3SLC9A3KDM4EMAPT
SCHEMBL5762147 0.83 DRD2 (0.39) DRD2DRD3SLC9A3KDM1AMCHR1
SCHEMBL5759864 0.83 FPR2 (0.50) DRD2DRD3KDM4EMAPTMCHR1
SCHEMBL5759972 0.82 KDM4E (0.55) DRD2DRD3KDM4EMAPTROCK2
SCHEMBL5763072 0.80 ROCK2 (0.55) DRD2DRD3KDM4EMAPTROCK2
SCHEMBL5762686 0.78 FPR2 (0.48) DRD2DRD3KDM4EMAPTROCK2
Hydrochloric Acid SCHEMBL5808241 0.77 FPR2 (0.47) DRD2DRD3KDM4EMAPTROCK2
SCHEMBL5789643 0.75 FPR2 (0.44) KDM4EMAPTROCK2MCHR1
SCHEMBL2328336 0.69 DRD2 (0.47) DRD2DRD3KDM4EMAPTHTR1A

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-7101885-B2 1-(4-Bromo-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-pyridin-3-yloxy]-pyrrolidin-2-one; antagonists of the serotonin 5HT1B receptor; treating depression PFIZER INC (US) 2006-09-05 US claimed
EP-1638932-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS Pfizer Products Inc. (US) 2006-03-29 EP claimed
US-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams PFIZER INC 2004-12-30 US claimed
WO-2004110994-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
US-7101885-B2 1-(4-Bromo-phenyl)-3-[2-(4-methyl-piperazin-1-yl)-pyridin-3-yloxy]-pyrrolidin-2-one; antagonists of the serotonin 5HT1B receptor; treating depression PFIZER INC (US) 2006-09-05 US disclosed
EP-1638932-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams PFIZER INC 2004-12-30 US disclosed
WO-2004110994-A1 NOVEL PIPERAZINYL-ARYLOXY AND PIPERAZINYL-HETEROARYLOXY-N-ARYL LACTAMS PFIZER PRODUCTS INC. (US) 2004-12-23 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 (1 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-20040266781-A1 Novel piperazinyl-aryloxy and piperazinyl-heteroaryloxy-n-aryl lactams OPRD1, HTR5A, PTGDR DRD2 56/4885DRD3 92/4885SLC9A3 2814/4885

“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.