SCHEMBL5248209

SCHEMBL5248209

CN(C(=O)CCN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
HTR2A P28223 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
ACHE P22303 3/20 0.49
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CCR5 P51681 1/20 0.45
PARP1 P09874 2/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
HTR7 P34969 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PARP2 Q9UGN5 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
Hydrochloric Acid SCHEMBL5250256 0.99 HTR1A (0.53) HTR1AHTR2ATMEM97ACHEKDM4E
SCHEMBL5251741 0.90 HTR1A (0.61) HTR1AHTR2ATMEM97ACHEKDM4E
SCHEMBL5248352 0.90 HTR1A (0.56) HTR1AHTR2ATMEM97ACHEKDM4E
Hydrochloric Acid SCHEMBL5250613 0.89 HTR1A (0.60) HTR1AHTR2ATMEM97ACHEKDM4E
Hydrochloric Acid SCHEMBL5247577 0.89 HTR1A (0.55) HTR1AHTR2ATMEM97ACHEKDM4E
SCHEMBL5249086 0.82 HTR1A (0.67) HTR1AHTR2ATMEM97ACHEKDM4E
SCHEMBL5251691 0.81 HTR1A (0.63) HTR1AHTR2ATMEM97ACHEKDM4E
Hydrochloric Acid SCHEMBL5249799 0.81 HTR1A (0.66) HTR1AHTR2ATMEM97ACHEKDM4E
Hydrochloric Acid SCHEMBL5251484 0.81 HTR1A (0.62) HTR1AHTR2ATMEM97ACHEKDM4E
SCHEMBL5251820 0.81 ACHE (0.57) HTR1AHTR2ATMEM97ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885HTR2A 153/4885TMEM97 10/4885

“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.