SCHEMBL20944444

SCHEMBL20944444

CCOC(=O)c1cc(OC(C)C)c2cc(OCc3ccccc3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.56
MEN1 O00255 1/20 0.56
HSP90AA1 P07900 1/20 0.56
KMT2A Q03164 1/20 0.56
GABRA1 P14867 3/20 0.55
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA5 P31644 3/20 0.55
GABRA3 P34903 3/20 0.55
GABRA2 P47869 3/20 0.55
NMT2 O60551 1/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
EDNRA P25101 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRB1 P18505 1/20 0.47

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
SCHEMBL20944218 0.87 MEN1 (0.57) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL20944581 0.86 GABRA1 (0.57) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL20944487 0.83 MEN1 (0.60) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL20943949 0.82 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL20944400 0.82 MEN1 (0.56) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL112672 0.80 MEN1 (0.59) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL28404446 0.79 ALDH1A1 (0.68) GABRA1GABRA3L3MBTL1MAPTALDH1A1
SCHEMBL20944158 0.77 GABRA1 (0.52) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL4929982 0.76 MMP13 (0.61) NMT1MEN1HSP90AA1KMT2AGABRA1
SCHEMBL15892266 0.76 MEN1 (0.55) NMT1MEN1HSP90AA1KMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
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
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
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 NMT1 775/4885MEN1 2553/4885HSP90AA1 2046/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 NMT1 775/4885MEN1 2553/4885HSP90AA1 2046/4885

“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.