SCHEMBL6734669

SCHEMBL6734669

CCOC(=O)c1cc(C(=O)OCC)n(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
LMNA P02545 2/20 0.42
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA2 P47869 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL30979681 0.91 KMT2A (0.42) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL20094452 0.91 CYP1A2 (0.41) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL12410988 0.86 SMN1; SMN2 (0.47) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL9941672 0.86 CYP1A2 (0.45) CYP1A2GABRA1GABRB2GABRA2GABRP
SCHEMBL24687926 0.85 CYP1A2 (0.40) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL5208277 0.84 CYP1A2 (0.44) CYP1A2GABRA1GABRB2GABRA2GABRP
SCHEMBL25435175 0.84 ALDH1A1 (0.41) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL23754103 0.83 TSHR (0.40) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL25033914 0.83 ADORA3 (0.43) CYP1A2LMNAGABRA1GABRB2GABRA2
SCHEMBL21244231 0.83 CYP1A2 (0.42) CYP1A2GABRA1GABRB2GABRA2GABRP

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
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
US-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators Hepagene Therapeutics (HK) Limited (HK) 2021-01-26 US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
WO-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 WO disclosed
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 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 (5 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-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators NR1H4, FXR1, GPBAR1 CYP1A2 284/4885LMNA 3987/4885GABRA1 1879/4885
US-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CYP1A2 270/4885LMNA 4169/4885GABRA1 1952/4885
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 CYP1A2 409/4885LMNA 4029/4885GABRA1 2186/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CYP1A2 270/4885LMNA 4169/4885GABRA1 1952/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 CYP1A2 270/4885LMNA 4169/4885GABRA1 1952/4885

“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.