SCHEMBL20173785

SCHEMBL20173785

CC(C)N1Cc2cnc(C(F)(F)F)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
HRH3 Q9Y5N1 1/20 0.34
TRPV4 Q9HBA0 1/20 0.32
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
MAP3K12 Q12852 1/20 0.30
KCNH2 Q12809 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
SCHEMBL20178671 0.82 TMEM97 (0.39) SLC6A9TMEM97SIGMAR1KCNH2
SCHEMBL20178630 0.81 SLC6A9 (0.40) SLC6A9TRPV4CA2CHKAKCNH2
SCHEMBL20178662 0.77 TRPV4 (0.38) SLC6A9TRPV4CA2CHKA
SCHEMBL20178672 0.77 SLC6A9 (0.38) SLC6A9TRPV4CA2CHKASCN10A
SCHEMBL18058682 0.74 NOS3 (0.46) HRH3
SCHEMBL18053996 0.74 CHRNB2 (0.36) HRH3TMEM97SIGMAR1KCNH2
SCHEMBL12769061 0.72 DPP4 (0.40) KCNH2
SCHEMBL19505173 0.71 HDAC1 (0.35) HRH3
SCHEMBL18058681 0.71 NNMT (0.33)
SCHEMBL20651758 0.71 SLC6A9 (0.43) SLC6A9HRH3TMEM97SIGMAR1

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-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

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 SLC6A9 559/4885HRH3 582/4885TRPV4 974/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SLC6A9 559/4885HRH3 582/4885TRPV4 974/4885

“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.