SCHEMBL17014374

SCHEMBL17014374

COc1ccc(I)c2c1CCC21CCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA1A P35348 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
PDE4A P27815 2/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
DRD4 P21917 2/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL17014498 0.94 ADRA1A (0.37) ADRA2AADRA1AALDH1A1GAAKDM4E
SCHEMBL17014347 0.87 LMNA (0.37) ADRA2AADRA1AALDH1A1GAAKDM4E
SCHEMBL17014327 0.86 ADRA1A (0.41) ADRA2AADRA1AALDH1A1GAAKDM4E
SCHEMBL17014462 0.86 ADRA2A (0.34) ADRA2AADRA1AALDH1A1GAAKDM4E
SCHEMBL17014491 0.86 ADRA1A (0.36) ADRA2AADRA1AALDH1A1DRD2DRD3
SCHEMBL17014483 0.85 DRD2 (0.40) ADRA2ADRD2DRD3
SCHEMBL17014455 0.83 ADRA1A (0.41) ADRA2AADRA1AALDH1A1GAAKDM4E
SCHEMBL17014528 0.81 ADRA2A (0.33) ADRA2AALDH1A1GAAKDM4EGLA
SCHEMBL17014368 0.78
SCHEMBL17014463 0.76 ADRA1A (0.45) ADRA2AADRA1AALDH1A1GAAKDM4E

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
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 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 (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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD ADRA2A 2799/4885ADRA1A 1635/4885ALDH1A1 588/4885

“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.