SCHEMBL20178679

SCHEMBL20178679

CCN1CCc2cc(C(=O)OC)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.59
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
LIPE Q05469 1/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL1788946 0.92 ACACB (0.53) ACACBCHRM2CHRM4CHRM5CHRM1
SCHEMBL20178659 0.88 NAMPT (0.56) ACACBNAMPTALDH1A1KDM4EHDAC8
SCHEMBL3881820 0.84 ACACB (0.55) ACACBNAMPTALDH1A1KDM4EHDAC8
SCHEMBL20178641 0.84 ALDH1A1 (0.51) ACACBNAMPTALDH1A1HRH3HDAC8
SCHEMBL10120332 0.83 HDAC6 (0.62) HDAC8HDAC6
SCHEMBL1959722 0.83 ACACB (0.51) ACACBNAMPTHDAC6LMNAMAPT
SCHEMBL3968486 0.83 ACACB (0.69) ACACBCHRM2CHRM3ALDH1A1KDM4E
SCHEMBL9950571 0.81 ACACB (0.69) ACACBALDH1A1KDM4EHDAC6LMNA
SCHEMBL3307342 0.81 DRD1 (0.51) ACACBALDH1A1KDM4EHDAC8HDAC6
SCHEMBL5545542 0.80 ACACB (0.52) ACACBPRMT5WDR77

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 ACACB 797/4885CHRM2 3177/4885CHRM4 2144/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ACACB 797/4885CHRM2 3177/4885CHRM4 2144/4885

“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.