SCHEMBL17014343

SCHEMBL17014343

COc1cccc2c1C1(CCCC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.47
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
ADRA2A P08913 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL29862053 0.98 HTR5A (0.46) HTR5ADRD2DRD3ADRA2AALDH1A1
SCHEMBL23333158 0.85 SIGMAR1 (0.46) HTR5ADRD2DRD3ADRA2A
SCHEMBL13999138 0.79 DRD2 (0.49) HTR5ADRD2DRD3ADRA2AALDH1A1
SCHEMBL29823229 0.79 DRD2 (0.49) HTR5ADRD2DRD3ADRA2AALDH1A1
SCHEMBL18053266 0.78 HTR5A (0.46) HTR5ADRD2DRD3ADRA2AALDH1A1
SCHEMBL23023377 0.77 HTR5A (0.46) HTR5ADRD2DRD3ADRA2AALDH1A1
SCHEMBL17014327 0.76 ADRA1A (0.41) DRD2DRD3ADRA2AALDH1A1
SCHEMBL9358367 0.75 HTR5A (0.44) HTR5ADRD2DRD3ADRA2AALDH1A1
SCHEMBL17014372 0.74 ALDH1A1 (0.48) DRD2DRD3ADRA2AALDH1A1CHRM2
SCHEMBL31461881 0.73 PTGS2 (0.40) DRD2ALDH1A1DRD1

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 HTR5A 3231/4885DRD2 3934/4885DRD3 2599/4885

“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.