SCHEMBL18347366

SCHEMBL18347366

CC1=CN(C(=O)c2ccccc2)CC(C)(C)c2c1[nH]c1ccccc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.60
ESR1 P03372 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52

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
SCHEMBL16917651 0.86 NR1H4 (0.74) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4758952 0.83 NR1H4 (0.66) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4758605 0.82 NR1H4 (0.61) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4526416 0.81 NR1H4 (0.86) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4309430 0.80 NR1H4 (0.76) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL688640 0.80 NR1H4 (0.76) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4300482 0.79 NR1H4 (0.78) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL19273439 0.78 NR1H4 (0.49) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4759182 0.77 NR1H4 (0.55) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4520715 0.76 NR1H4 (0.84) NR1H4ESR1NR3C1PGRNR3C2

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-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 US disclosed
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-12-29 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-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 NR1H4 10/4885ESR1 1524/4885NR3C1 382/4885
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING NR1H4, FXR2, FXR1 NR1H4 1/4885ESR1 658/4885NR3C1 122/4885

“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.