SCHEMBL19628517

SCHEMBL19628517

CC(C)c1c(F)cccc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.36
HTR1A P08908 6/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
OPRL1 P41146 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM1A O60341 2/20 0.33
ABCB1 P08183 1/20 0.33
KDM1B Q8NB78 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HTR2C P28335 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
HTR6 P50406 3/20 0.33

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
SCHEMBL15577021 0.93 NOS3 (0.37) SLC6A4HTR1ASLC6A2SLC6A3CHRNB2
SCHEMBL18790124 0.78 HTR2C (0.46) OPRL1HTR2CPDK2PDK4HTR6
SCHEMBL15577034 0.78 ADRA2A (0.35) HTR1ASLC6A2HTR2CPDK2PDK4
SCHEMBL10192326 0.76 NOS3 (0.34) SLC6A4HTR1ASLC6A2SLC6A3CHRNB2
SCHEMBL10245295 0.76 ALOX5AP (0.34) SLC6A4HTR1ASLC6A2SLC6A3CHRNB2
SCHEMBL807556 0.76 CES2 (0.41) SLC6A2HTR2C
SCHEMBL25464013 0.74 HTR2C (0.49) SLC6A4HTR1ASLC6A2SLC6A3DRD2
SCHEMBL17988482 0.74 GLP1R (0.36) OPRL1TLR9TLR8TLR7
SCHEMBL25464003 0.74 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3DRD2HTR2C
SCHEMBL19633961 0.74 HTR2C (0.48) SLC6A4HTR1ASLC6A2SLC6A3CHRNB2

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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 SLC6A4 962/4885HTR1A 1692/4885SLC6A2 1290/4885

“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.