SCHEMBL20173789

SCHEMBL20173789

CC(C)N1Cc2cccc(C(C)(C)C)c2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.37
TMEM97 Q5BJF2 7/20 0.37
SIGMAR1 Q99720 7/20 0.37
CA2 P00918 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KIF11 P52732 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
IDH1 O75874 1/20 0.32
ACACB O00763 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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 0.86 ACACB (0.40) KCNH2TMEM97SIGMAR1HRH3MEN1
SCHEMBL25465443 0.85 ACACB (0.38) KCNH2HRH3GABRA1ACACBALDH1A1
SCHEMBL22597697 0.85 HRH3 (0.38) KCNH2HRH3MEN1KMT2AGABRA1
SCHEMBL15449628 0.77 KIF11 (0.42) KCNH2TMEM97SIGMAR1HRH3MEN1
SCHEMBL20119243 0.77 MAOA (0.39) SIGMAR1CA2GABRA1GABRB2HSP90AA1
SCHEMBL21882589 0.76 ACACB (0.38) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL13112855 0.75 TMEM97 (0.38) KCNH2TMEM97SIGMAR1CA2GABRA1
SCHEMBL20178661 0.75 CA2 (0.38) KCNH2TMEM97SIGMAR1CA2GABRA1
SCHEMBL2741665 0.75 KCNH2 (0.38) KCNH2TMEM97SIGMAR1CA2HRH3
SCHEMBL13243094 0.75 KCNH2 (0.58) KCNH2TMEM97SIGMAR1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
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 (3 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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 KCNH2 4755/4885TMEM97 3721/4885SIGMAR1 1912/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 KCNH2 4447/4885TMEM97 192/4885SIGMAR1 397/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KCNH2 4447/4885TMEM97 192/4885SIGMAR1 397/4885

“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.