SCHEMBL20047511

SCHEMBL20047511

CCN1C2CCC1CC(NC(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CACNA1H O95180 3/20 0.33
HTR4 Q13639 1/20 0.32
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL2612625 0.77 ALDH1A1 (0.36) ALDH1A1HTR4CHRM1SLC6A2SLC6A4
SCHEMBL12404066 0.77 LMNA (0.44) HTR4CHRM1SLC6A2SLC6A4SLC6A3
SCHEMBL14388282 0.75 KCNH2 (0.38) ALDH1A1HTR4CHRM1SLC6A2SLC6A4
SCHEMBL20043249 0.75
SCHEMBL2887259 0.75
SCHEMBL14418085 0.72 HSD11B1 (0.33)
SCHEMBL18199672 0.72 HSD11B1 (0.33)
SCHEMBL25518308 0.72 CHRM1 (0.39) ALDH1A1HTR4CHRM1SLC6A2SLC6A4
SCHEMBL21739053 0.71 KMT2A (0.57) ALDH1A1HTR4CHRM1
SCHEMBL20805544 0.69

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885CACNA1H 4092/4885HTR4 1536/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885CACNA1H 4092/4885HTR4 1536/4885

“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.