SCHEMBL20944698

SCHEMBL20944698

CCOC(=O)c1cccc2c1CCNC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ADORA1 P30542 2/20 0.46
CD44 P16070 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CLEC4M Q9H2X3 1/20 0.42
CDC25B P30305 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL30745013 1.00 TSHR (0.50) TSHRADORA1CD44SLC6A2SLC6A4
SCHEMBL31686161 0.89 TSHR (0.50) TSHRADORA1SLC6A2SLC6A4SLC6A3
SCHEMBL26643886 0.89 TSHR (0.50) TSHRADORA1SLC6A2SLC6A4SLC6A3
SCHEMBL21496827 0.87 TSHR (0.54) TSHRALDH1A1HSD17B10CLEC4MCDC25B
Hydrochloric Acid SCHEMBL21496725 0.86 TSHR (0.53) TSHRALDH1A1HSD17B10CLEC4MCDC25B
SCHEMBL2355554 0.84 CD44 (0.49) TSHRCD44ALDH1A1HSD17B10
SCHEMBL29609011 0.84 CD44 (0.49) TSHRCD44ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4438179 0.83 CD44 (0.47) TSHRCD44ALDH1A1HSD17B10
SCHEMBL7276418 0.80 TSHR (0.56) TSHRALDH1A1HSD17B10CLEC4MCDC25B
SCHEMBL10642313 0.78 KDM4E (0.45) TSHRADORA1SLC6A2SLC6A4SLC6A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
CN-111295382-A Bridged bicyclic compounds as modulators of farnesoid X receptors 百时美施贵宝公司 2020-06-16 CN disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 TSHR 925/4885ADORA1 736/4885CD44 2845/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 TSHR 925/4885ADORA1 736/4885CD44 2845/4885

“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.