SCHEMBL5354151

SCHEMBL5354151

CCOC(=O)c1nc(C)n2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.54
GABRA5 P31644 5/20 0.54
GABRB2 P47870 5/20 0.54
GABRA1 P14867 3/20 0.54
GABRA3 P34903 3/20 0.54
OPRK1 P41145 3/20 0.54
HPGD P15428 2/20 0.54
BRD4 O60885 1/20 0.54
LMNA P02545 1/20 0.54
CNR1 P21554 1/20 0.54
GABRG2 P18507 4/20 0.54
GABRB3 P28472 4/20 0.54
GABRA4 P48169 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
CACNA1F O60840 1/20 0.49
ALB P02768 1/20 0.49
GABRB1 P18505 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL7308179 0.90 OPRK1 (0.56) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7309925 0.90 GABRA3 (0.55) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7310152 0.88 OPRK1 (0.60) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL30877553 0.88 OPRK1 (0.58) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL27185165 0.88 OPRK1 (0.58) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7307080 0.86 OPRK1 (0.58) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7316606 0.85 LMNA (0.52) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7316446 0.85 OPRK1 (0.57) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7311633 0.85 GABRG2 (0.54) GABRA2GABRA5GABRB2GABRA1GABRA3
SCHEMBL7308410 0.85 OPRK1 (0.56) GABRA2GABRA5GABRB2GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO 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 (1 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 GABRA2 54/4885GABRA5 38/4885GABRB2 63/4885

“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.