SCHEMBL10160339

SCHEMBL10160339

CC(C)(C)OCCNC1CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL2668490 0.92 ALDH1A1 (0.40) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12788319 0.91 KDM4E (0.42) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1709037 0.91 KDM4E (0.46) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9911384 0.79 ALDH1A1 (0.37) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL20812540 0.78 HRH4 (0.36) MEN1KMT2A
SCHEMBL25954181 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL24960536 0.76 FUCA1 (0.35) ALDH1A1
SCHEMBL20805305 0.75 BACE1 (0.32) KDM4EMEN1KMT2A
SCHEMBL21965865 0.74 SLC6A5 (0.38)
SCHEMBL13662529 0.74 CYP1A2 (0.42) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A KDM4E 3958/4885CYP1A2 1596/4885CYP2D6 1214/4885

“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.