SCHEMBL10082157

SCHEMBL10082157

O=C(OCc1ccccc1)N1CCCC1c1cc(=O)c2ccc(Br)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.44
▸ TMEM97 Q5BJF2 4/20 0.44
▸ SIGMAR1 Q99720 4/20 0.44
▸ PREP P48147 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.41
▸ CTSK P43235 1/20 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
SCHEMBL10081950 0.94 AADAT (0.44) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL16276293 0.84 HCRTR1 (0.48) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL10082590 0.84 AADAT (0.42) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL10082942 0.84 AADAT (0.42) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL10082168 0.84 AADAT (0.44) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL10082167 0.84 AADAT (0.44) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL10081951 0.83 GFER (0.46) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL15083839 0.82 KMT2A (0.43) NPSR1
SCHEMBL14948522 0.82 HTR2C (0.38) TMEM97SIGMAR1
SCHEMBL17209430 0.80 AADAT (0.40) AADATTMEM97SIGMAR1PREPNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797911-B1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-10-28 — — EP disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
EP-2598498-B1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS JANSSEN R & D IRELAND (IE) 2014-07-09 — — EP disclosed
WO-2013098313-A1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS JANSSEN R&D IRELAND (IE) 2013-07-04 — — WO disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — US disclosed
WO-2012013643-A1 HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2012-02-02 — — 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 (2 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-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 AADAT 2760/4885TMEM97 2494/4885SIGMAR1 827/4885
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 AADAT 2837/4885TMEM97 2931/4885SIGMAR1 941/4885

“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.

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