SCHEMBL12302151

SCHEMBL12302151

O=C1CN(c2ncc([C@@H]3CCCN3C(=O)OCc3ccccc3)[nH]2)CCN1c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.44
▸ TMEM97 Q5BJF2 6/20 0.44
▸ F10 P00742 4/20 0.43
▸ PREP P48147 2/20 0.41
▸ AADAT Q8N5Z0 1/20 0.40

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
SCHEMBL12302149 0.86 SIGMAR1 (0.41) SIGMAR1TMEM97F10PREPAADAT
SCHEMBL12565150 0.84 PRCP (0.45) SIGMAR1TMEM97
SCHEMBL10173010 0.80 HCRTR1 (0.47) SIGMAR1TMEM97PREPAADAT
SCHEMBL12302148 0.74 PRCP (0.46) SIGMAR1TMEM97
SCHEMBL2379314 0.73 TMEM97 (0.60) SIGMAR1TMEM97PREPAADAT
SCHEMBL10082157 0.73 AADAT (0.44) SIGMAR1TMEM97PREPAADAT
SCHEMBL205415 0.73 PRCP (0.55) —
SCHEMBL2708434 0.73 PRCP (0.55) —
SCHEMBL12175006 0.73 PRCP (0.55) —
SCHEMBL2148247 0.73 PREP (0.51) SIGMAR1TMEM97PREPAADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 — — 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-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 SIGMAR1 1946/4885TMEM97 1985/4885F10 3948/4885

“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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