SCHEMBL20178652

SCHEMBL20178652

CCC(C)N1CC2CCCCCCCC2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
TSHR P16473 1/20 0.36
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX1 P07099 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EPHX2 P34913 2/20 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
SCHEMBL10236309 1.00 SHBG (0.39) SHBGTSHRDRD2DRD3HSD11B1
SCHEMBL18885421 0.95 SHBG (0.34) SHBGTSHRDRD2DRD3HRH3
SCHEMBL18526557 0.88 DRD2 (0.36) SHBGTSHRDRD2DRD3HRH3
SCHEMBL24912508 0.88 DRD2 (0.36) SHBGTSHRDRD2DRD3HRH3
SCHEMBL25707668 0.79 HRH3 (0.37) SHBGDRD2DRD3HRH3OPRM1
SCHEMBL18500487 0.79 SHBG (0.36) SHBGHSD11B1ALDH1A1
SCHEMBL24326959 0.78 HSD11B1 (0.37) HSD11B1HRH3ALDH1A1
SCHEMBL17067969 0.77
SCHEMBL24584510 0.76
SCHEMBL21066239 0.76 CHRNB2 (0.42)

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 SHBG 1611/4885TSHR 320/4885DRD2 4834/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SHBG 1611/4885TSHR 320/4885DRD2 4834/4885

“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.