SCHEMBL13438744

SCHEMBL13438744

N[C@H]1CC[C@H](CNCCCCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.54
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL11934865 1.00 SIGMAR1 (0.54) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL25008394 0.92 SIGMAR1 (0.63) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL14934945 0.89 HTR2A (0.49) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL4686477 0.89 HTR2A (0.49) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL4073277 0.87 SIGMAR1 (0.64) SIGMAR1HTR2AHRH1
SCHEMBL11935197 0.84 CXCR4 (0.46) ALDH1A1
SCHEMBL11935159 0.81 SCN8A (0.42) HTR2AHRH1
SCHEMBL11935162 0.80 MAOA (0.41) SIGMAR1HTR2AHRH1
SCHEMBL1967142 0.80 HTR2A (0.56) SIGMAR1HTR2AHRH1
SCHEMBL8084177 0.80 SIGMAR1 (0.58) SIGMAR1HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R SIGMAR1 57/4885HTR2A 120/4885HRH1 203/4885

“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.