SCHEMBL15908506

SCHEMBL15908506

CCCNC(CC)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 1/20 0.45
KCNE1 P15382 1/20 0.45
TSHR P16473 1/20 0.42
SCN8A Q9UQD0 2/20 0.41
TACR3 P29371 2/20 0.41
SCN5A Q14524 2/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
KCND3 Q9UK17 1/20 0.40
SCN1A P35498 2/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6268899 0.86 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL4040583 0.81 KCNA5 (0.45) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL12812606 0.81 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL16132513 0.81 KCNA5 (0.45) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL2323123 0.80 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL22131539 0.75 KCNA5 (0.41) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL4476080 0.75 ALDH1A1 (0.46) KCNA5KCNH2CYP2D6TACR3ALDH1A1
SCHEMBL23808091 0.75 KCNA5 (0.42) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL22131652 0.74 KCNA5 (0.40) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL16132515 0.73 KCNA5 (0.41) KCNA5KCNH2CYP2D6KCNE1TSHR

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-9087642-B2 Photoelectric conversion element, photoelectrochemical cell, and metal complex dye used therein FUJIFILM CORPORATION (JP) 2015-07-21 US disclosed
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN FUJIFILM CORPORATION (JP) 2014-07-31 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-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN L1CAM, CDH1, CD4 KCNA5 311/4885KCNH2 630/4885CYP2D6 3066/4885

“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.