SCHEMBL5250640

SCHEMBL5250640

O=C(O)N1CCC(CN2Cc3ccc(F)cc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
ADAM17 P78536 5/20 0.41
THRB P10828 1/20 0.39
PARP1 P09874 1/20 0.39
NPY5R Q15761 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PER2 O15055 1/20 0.36
CRY2 Q49AN0 1/20 0.36

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
SCHEMBL5243199 0.91 HTR1A (0.53) HTR1AHTR2ATMEM97ADAM17THRB
SCHEMBL5251364 0.86 HTR1A (0.43) HTR1AHTR2ATMEM97THRBPARP1
SCHEMBL5250167 0.83 HTR1A (0.60) HTR1AHTR2ATMEM97PARP1KDM4E
SCHEMBL5247543 0.82 ACHE (0.46) HTR1AHTR2ATMEM97PARP1
SCHEMBL5248037 0.81 HTR2A (0.81) HTR1AHTR2ATMEM97KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5247881 0.80 HTR2A (0.79) HTR1AHTR2ATMEM97KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5248392 0.79 PARP1 (0.47) HTR1AHTR2ATMEM97ADAM17PARP1
SCHEMBL2029501 0.79 HTR1A (0.43) HTR1AHTR2ATMEM97ADAM17THRB
SCHEMBL5242210 0.79 HTR1A (0.43) HTR1AHTR2ATMEM97THRBPARP1
SCHEMBL5248078 0.76 HTR1A (0.46) HTR1AHTR2ATMEM97PARP1ALDH1A1

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.