SCHEMBL5355886

SCHEMBL5355886

CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.73
NR1I2 O75469 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
OPRM1 P35372 1/20 0.73
TP53 P04637 5/20 0.72
KCNH2 Q12809 2/20 0.72
GABRA1 P14867 2/20 0.72
GABRA5 P31644 2/20 0.72
GABRA3 P34903 2/20 0.72
GABRA2 P47869 2/20 0.72
GABRB2 P47870 2/20 0.72
GABRP O00591 1/20 0.72
GABRD O14764 1/20 0.72
CACNA1F O60840 1/20 0.72
ALB P02768 1/20 0.72
GABRB1 P18505 1/20 0.72
GABRG2 P18507 1/20 0.72
GABRB3 P28472 1/20 0.72
AKR1C3 P42330 1/20 0.72
GABRA4 P48169 1/20 0.72

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
SCHEMBL10415003 0.93 LMNA (0.70) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL5361417 0.91 OPRK1 (0.72) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL3579580 0.88 OPRK1 (0.73) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL5349082 0.88 TP53 (0.84) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL11580068 0.88 OPRK1 (0.67) OPRK1NR1I2ADORA3OPRM1TP53
Fosazepam SCHEMBL114556 0.87 OPRK1 (0.69) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL11855695 0.87 OPRK1 (0.69) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL11785592 0.87 OPRK1 (0.63) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL11769344 0.87 TP53 (0.72) OPRK1NR1I2ADORA3OPRM1TP53
SCHEMBL16777701 0.86 NPSR1 (0.72) OPRK1NR1I2ADORA3OPRM1TP53

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 OPRK1 222/4885NR1I2 355/4885ADORA3 548/4885

“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.