SCHEMBL522952

SCHEMBL522952

CN(C)CCCc1cccc(CCCN(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.55
NOS3 P29474 3/20 0.49
NOS1 P29475 3/20 0.49
NOS2 P35228 2/20 0.49
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 2/20 0.42
HTR1B P28222 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
TERT O14746 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
SCHEMBL522349 0.86 KCNH2 (0.48) KCNH2NOS3NOS1NOS2TAAR1
SCHEMBL2681263 0.78 HRH1 (0.55) TAAR1HRH1
SCHEMBL21657224 0.77 KCNH2 (0.46) KCNH2NOS3NOS1NOS2HTR1B
SCHEMBL1404092 0.75 KCNH2 (0.83) KCNH2NOS1NOS2
SCHEMBL248521 0.73 KCNH2 (0.95) KCNH2
SCHEMBL30445493 0.73 PDE10A (0.56) NOS3NOS1NOS2
SCHEMBL15721462 0.73 HTR7 (0.51) KCNH2HTR1B
SCHEMBL7748729 0.72 HRH1 (0.58) SIGMAR1TAAR1HRH1
SCHEMBL522953 0.72 ALDH1A1 (0.44) KCNH2NOS1NOS2TAAR1
SCHEMBL18762842 0.71 SIGMAR1 (0.61) KCNH2NOS3NOS1NOS2SIGMAR1

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 KCNH2 3359/4885NOS3 707/4885NOS1 202/4885

“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.