SCHEMBL1914149

SCHEMBL1914149

Cc1nc([C@@H]2CCCN2C(=O)O)[nH]c1I

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.38
▸ HCRTR2 O43614 17/20 0.38

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
SCHEMBL1293417 0.86 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL13505317 0.86 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL18815239 0.86 OPRD1 (0.40) HCRTR1HCRTR2
SCHEMBL18815238 0.86 OPRD1 (0.40) HCRTR1HCRTR2
SCHEMBL9980544 0.83 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL1914063 0.83 ALDH1A1 (0.44) —
SCHEMBL29136404 0.83 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL29136401 0.83 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL23247998 0.77 OPRD1 (0.48) HCRTR1HCRTR2
SCHEMBL1914099 0.77 — —

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
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 — — US disclosed
EP-2515902-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2012-10-31 — — EP disclosed
WO-2011079327-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 — — 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 (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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 HCRTR1 692/4885HCRTR2 2202/4885

“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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