SCHEMBL13617197

SCHEMBL13617197

CCCCNC(=O)CCCCC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.56
CASP2 P42575 1/20 0.53
DNM1 Q05193 2/20 0.53
CNR1 P21554 1/20 0.50
NAAA Q02083 1/20 0.50
EPHX2 P34913 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC6A5 Q9Y345 2/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9160047 0.98 FAAH (0.59) FAAHCASP2DNM1CNR1NAAA
SCHEMBL9153941 0.98 FAAH (0.59) FAAHCASP2DNM1CNR1NAAA
SCHEMBL10798719 0.93 CASP2 (0.65) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL24132894 0.93 CASP2 (0.65) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL22664244 0.93 CASP2 (0.65) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL24910060 0.93 CASP2 (0.65) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL10798712 0.93 CASP2 (0.65) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL24489957 0.93 CASP2 (0.65) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL13375745 0.93 CASP2 (0.58) FAAHCASP2DNM1CNR1NAAA
SCHEMBL26192970 0.91 CASP2 (0.61) FAAHCASP2DNM1NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME MEDSHINE DISCOVERY INC. (CN) 2023-05-25 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (2 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-20230158152-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME PSMA6, PSMC1, PSMA1 FAAH 1469/4885CASP2 1158/4885DNM1 1540/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 FAAH 1049/4885CASP2 144/4885DNM1 873/4885

“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.