SCHEMBL5657962

SCHEMBL5657962

COc1ccccc1CN1CCC(CN2Cc3ccccc3C2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
HTR2A P28223 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
ACHE P22303 4/20 0.53
CXCR4 P61073 3/20 0.50
DRD2 P14416 1/20 0.49
DRD5 P21918 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
CHRM3 P20309 3/20 0.49
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
GNAI3 P08754 1/20 0.49
BCHE P06276 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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 SCHEMBL5659178 0.99 HTR1A (0.54) HTR1AHTR2ATMEM97ACHECXCR4
SCHEMBL5661060 0.89 HTR1A (0.53) HTR1AHTR2ATMEM97DRD2DRD5
Hydrochloric Acid SCHEMBL5658805 0.89 KCNH2 (0.54) HTR1AHTR2ATMEM97DRD2DRD5
SCHEMBL5251468 0.83 ACHE (0.58) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL5251963 0.83 HTR2C (0.54) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL21723493 0.82 DRD2 (0.54) DRD2DRD5HTR7DRD3MEN1
SCHEMBL5248873 0.81 HTR1A (0.67) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL5660463 0.81 DRD2 (0.52) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL5251028 0.81 HTR1A (0.51) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL5660772 0.80 ACHE (0.78) HTR1AHTR2ATMEM97ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.