SCHEMBL93165

SCHEMBL93165

CCN([C]=O)CCN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.37
SIGMAR1 Q99720 5/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL93154 0.89 HRH3 (0.43) HRH3ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5805106 0.84 SIGMAR1 (0.38) HRH3SIGMAR1SLC6A3SLC6A4CARM1
SCHEMBL9033237 0.81 GLA (0.38) HRH3SIGMAR1ALDH1A1POLBL3MBTL1
SCHEMBL93222 0.76 SIGMAR1 (0.41) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL4617835 0.73 SIGMAR1 (0.49) HRH3SIGMAR1SLC6A3SLC6A4DRD2
SCHEMBL10501124 0.72 L3MBTL1 (0.41) HRH3SIGMAR1ALDH1A1POLBMAPT
SCHEMBL792225 0.71 SIGMAR1 (0.49) HRH3SIGMAR1SLC6A3SLC6A4CYP1A2
SCHEMBL791957 0.71 SIGMAR1 (0.49) HRH3SIGMAR1SLC6A3SLC6A4CYP1A2
Hydrochloric Acid SCHEMBL11609607 0.71 SIGMAR1 (0.47) HRH3SIGMAR1SLC6A3SLC6A4DRD2
SCHEMBL13962700 0.71 SIGMAR1 (0.54) HRH3SIGMAR1SLC6A3SLC6A4CARM1

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
EP-2426488-B1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEM IND LTD (JP) 2016-04-20 EP disclosed
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 US disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2426488-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
EP-2426123-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
US-20120043207-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 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-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 HRH3 197/4885SIGMAR1 57/4885ALDH1A1 1828/4885

“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.