SCHEMBL20178648

SCHEMBL20178648

CCOC(=O)c1ccc2c(c1)CCN2CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.58
SRD5A2 P31213 3/20 0.58
MAPT P10636 4/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ACHE P22303 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
PRMT1 Q99873 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
SCHEMBL20178665 0.92 SRD5A1 (0.56) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL20119318 0.84 SRD5A1 (0.59) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL20119451 0.83 SRD5A1 (0.58) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL20178650 0.82 ACHE (0.54) MAPTACHEALDH1A1HSD17B10TP53
SCHEMBL17386218 0.82 CA12 (0.45) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL20173807 0.81 SRD5A1 (0.56) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL20178706 0.81 SRD5A1 (0.47) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL17386259 0.80 NOTUM (0.44) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL20119320 0.80 SRD5A1 (0.57) SRD5A1SRD5A2MAPTCA12CA1
SCHEMBL27611315 0.77 ACHE (0.57) MAPTSMN1; SMN2ACHENPC1RAB9A

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 SRD5A1 184/4885SRD5A2 253/4885MAPT 2493/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SRD5A1 184/4885SRD5A2 253/4885MAPT 2493/4885

“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.