SCHEMBL12332121

SCHEMBL12332121

CC1(C)OB(c2ccc3nc([C@@H]4CCCN4C(=O)OCc4ccccc4)[nH]c3c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 13/20 0.43
▸ HCRTR2 O43614 13/20 0.43
▸ AADAT Q8N5Z0 1/20 0.43
▸ PRCP P42785 1/20 0.41
▸ GRIN2B Q13224 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
SCHEMBL3225930 1.00 HCRTR1 (0.43) HCRTR1HCRTR2AADATPRCPGRIN2B
SCHEMBL3216300 0.94 AADAT (0.43) HCRTR1HCRTR2AADATPRCPGRIN2B
SCHEMBL3216317 0.94 AADAT (0.43) HCRTR1HCRTR2AADATPRCPGRIN2B
SCHEMBL20434106 0.87 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL10117332 0.85 AADAT (0.43) AADAT
SCHEMBL750855 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL12969780 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1293568 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL203117 0.85 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2707099 0.85 HCRTR1 (0.44) HCRTR1HCRTR2

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 2 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-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 HCRTR1 4309/4885HCRTR2 4576/4885AADAT 3791/4885

“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.

Send feedback