SCHEMBL20173788

SCHEMBL20173788

CC(C)N1Cc2ccc(C(F)(F)F)c(F)c2C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
KCNH2 Q12809 5/20 0.33
TMEM97 Q5BJF2 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ACACB O00763 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
SCHEMBL20119408 0.80 ACACB (0.40) KCNH2TMEM97SIGMAR1HTR2BACACB
SCHEMBL26136927 0.80 KCNH2 (0.38) KCNH2TMEM97SIGMAR1
SCHEMBL20178629 0.78 NOTUM (0.32) PDE2AHTR2AHTR2CHTR2B
SCHEMBL20173787 0.71 HTR2A (0.44) KCNH2TMEM97SIGMAR1HTR2AHTR2C
SCHEMBL20173791 0.71 MITF (0.32)
SCHEMBL21882589 0.70 ACACB (0.38) KCNH2TMEM97SIGMAR1ACACB
SCHEMBL13243094 0.69 KCNH2 (0.58) KCNH2TMEM97SIGMAR1
SCHEMBL21882590 0.69
SCHEMBL13938028 0.68 TMEM97 (0.54) KCNH2TMEM97SIGMAR1HTR2BACACB
SCHEMBL21882595 0.68 KCNH2 (0.44) KCNH2TMEM97SIGMAR1ACACB

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 PDE2A 781/4885KCNH2 4447/4885TMEM97 192/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 PDE2A 781/4885KCNH2 4447/4885TMEM97 192/4885

“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.