SCHEMBL20944487

SCHEMBL20944487

CCOC(=O)c1cc(Cl)c2cc(OCc3ccccc3)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
HSP90AA1 P07900 1/20 0.60
KMT2A Q03164 1/20 0.60
GABRA1 P14867 3/20 0.59
GABRG2 P18507 3/20 0.59
GABRB3 P28472 3/20 0.59
GABRA5 P31644 3/20 0.59
GABRA3 P34903 3/20 0.59
GABRA2 P47869 3/20 0.59
NMT1 P30419 4/20 0.57
NMT2 O60551 1/20 0.57
MAOB P27338 2/20 0.50
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 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
SCHEMBL22397151 0.89 MMP13 (0.49) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL20944218 0.84 MEN1 (0.57) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL2652933 0.83 CTSL (0.61) MEN1KMT2AGABRA2LMNAMAPT
SCHEMBL20944444 0.83 NMT1 (0.56) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL20944400 0.83 MEN1 (0.56) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL20944581 0.83 GABRA1 (0.57) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL22718916 0.83 ALDH1A1 (0.58) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL163381 0.81 SMN1; SMN2 (0.53) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL112672 0.81 MEN1 (0.59) MEN1HSP90AA1KMT2AGABRA1GABRG2
SCHEMBL9729781 0.80 ALDH1A1 (0.55) MEN1KMT2AGABRA2LMNAL3MBTL1

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 MEN1 2553/4885HSP90AA1 2046/4885KMT2A 4610/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 MEN1 2553/4885HSP90AA1 2046/4885KMT2A 4610/4885

“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.