SCHEMBL22299180

SCHEMBL22299180

COC(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 12/20 0.57
▸ MAPT P10636 2/20 0.57
▸ TP53 P04637 2/20 0.48
▸ POLB P06746 3/20 0.48

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
SCHEMBL2542694 0.88 TP53 (0.58) NR1H4MAPTTP53POLB
SCHEMBL2546275 0.87 NR1H4 (0.65) NR1H4MAPTTP53POLB
SCHEMBL22299813 0.86 MAPT (0.54) NR1H4MAPTTP53POLB
SCHEMBL16702269 0.80 NR1H4 (0.85) NR1H4MAPTTP53POLB
SCHEMBL16709823 0.78 NR1H4 (0.55) NR1H4MAPTTP53POLB
SCHEMBL21574277 0.76 NR1H4 (0.51) NR1H4MAPTPOLB
SCHEMBL19810692 0.76 TP53 (0.55) NR1H4MAPTTP53POLB
SCHEMBL16702360 0.76 NR1H4 (0.53) NR1H4MAPTPOLB
SCHEMBL17978169 0.76 TP53 (0.59) NR1H4MAPTTP53POLB
SCHEMBL16702182 0.75 NR1H4 (0.62) NR1H4MAPTTP53POLB

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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 — — US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 — — 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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 NR1H4 1/4885MAPT 4447/4885TP53 4474/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 NR1H4 1/4885MAPT 4447/4885TP53 4474/4885

“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.

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