SCHEMBL18800270

SCHEMBL18800270

CCCC(C)(CC)c1ccc2nn[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.34
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL21022845 0.85 SCN10A (0.34) ESR1ESR2SCN10AKCNH2
SCHEMBL20374955 0.85 SCN10A (0.35) ESR1ESR2SCN10AKCNH2
SCHEMBL21650123 0.81 NPC1 (0.38) SCN10AKCNH2
SCHEMBL10261363 0.77 SCN10A (0.47) SCN10AKCNH2
SCHEMBL18687266 0.73 CNR2 (0.35) ESR1ESR2SCN10A
SCHEMBL7855336 0.71 METAP2 (0.49) SCN10AKCNH2
SCHEMBL24960591 0.70 ESR1 (0.37) ESR1
SCHEMBL1023455 0.69 NPC1 (0.38) —
SCHEMBL14208120 0.68 CNR1 (0.39) —
SCHEMBL318089 0.67 KIF11 (0.41) —

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-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 — — US disclosed
US-9637505-B2 4-amino-6-(heterocyclic)picolinates and 6-amino-2-(heterocyclic)pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2017-05-02 — — 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-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ESR1 2485/4885ESR2 2921/4885SCN10A 1087/4885

“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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