SCHEMBL13469008

SCHEMBL13469008

CCCCNCCCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SOAT1 P35610 2/20 0.47
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
CNR1 P21554 1/20 0.44
PAOX Q6QHF9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EPHX1 P07099 2/20 0.41
GAA P10253 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41

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
SCHEMBL10657120 0.96 TSHR (0.50) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL13469009 0.93 TSHR (0.52) TSHRALDH1A1SOAT1MEN1FAAH
Butyramide SCHEMBL10937056 0.93 TSHR (0.46) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL7769160 0.93 ALDH1A1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL1960042 0.93 TSHR (0.46) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL23929253 0.91 SOAT1 (0.53) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL22834949 0.91 SOAT1 (0.53) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL8592695 0.91 PAOX (0.54) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL26064326 0.87 MAOA (0.46) TSHRMEN1CYP1A2CYP2C19KMT2A
SCHEMBL7765758 0.86 ALDH1A1 (0.56) TSHRALDH1A1SOAT1MEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 TSHR 1489/4885ALDH1A1 92/4885SOAT1 1908/4885

“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.