SCHEMBL15064582

SCHEMBL15064582

CC(C)(C)C1[C@H](CNC(=O)NNC(=O)c2ccc(Br)c(F)c2)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 3/20 0.33
CACNA1I Q9P0X4 3/20 0.33
CACNA1G O43497 1/20 0.33
CHRM2 P08172 1/20 0.33
HRH1 P35367 1/20 0.33
HTR4 Q13639 1/20 0.33
CACNA1C Q13936 1/20 0.33
CHRM1 P11229 2/20 0.32
USP5 P45974 1/20 0.32
DPP4 P27487 1/20 0.31
MAOB P27338 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL15064460 0.86 HDAC3 (0.43) ALDH1A1HDAC3HDAC1HDAC2MEN1
SCHEMBL12474432 0.77 GAA (0.47) ALDH1A1HDAC3HDAC1HDAC2MEN1
SCHEMBL2298237 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL27007684 0.68 HDAC1 (0.50) ALDH1A1MAOBHDAC1MEN1KMT2A
SCHEMBL3104390 0.68 MTNR1A (0.34) ALDH1A1DPP4MEN1KMT2ASMN1; SMN2
SCHEMBL3089935 0.68 MTNR1A (0.34) ALDH1A1DPP4MEN1KMT2ASMN1; SMN2
SCHEMBL3272148 0.67 PREP (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21381054 0.66 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL5794052 0.66 DRD2 (0.40) ALDH1A1
SCHEMBL18988506 0.65 USP30 (0.42)

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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 CNR2 3277/4885CNR1 3214/4885ALDH1A1 671/4885

“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.