SCHEMBL12166200

SCHEMBL12166200

[C-]#[N+]c1cccc(N2CCC(O/N=[N+](\[O-])NC(C)(C)C)CC2)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL12166221 0.94 ACACB (0.32) —
SCHEMBL12166202 0.82 TYK2 (0.33) —
SCHEMBL12166220 0.79 ACACB (0.43) GPR119
SCHEMBL12166199 0.78 HRH3 (0.46) MAPT
SCHEMBL12166208 0.78 CHRNA7 (0.34) GPR119
SCHEMBL12166207 0.78 NOTUM (0.40) —
SCHEMBL12166183 0.76 KMT2A (0.40) —
SCHEMBL12166222 0.75 HRH3 (0.43) —
SCHEMBL12166225 0.73 NOTUM (0.38) —
SCHEMBL12166223 0.69 HRH3 (0.33) —

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-8361994-B2 Primary amine diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME CORP (US) 2013-01-29 — — US disclosed
US-20120232039-A1 PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME LLC 2012-09-13 — — 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-20120232039-A1 PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES EDNRA, PAH, EDNRB GPR119 874/4885MAPT 2663/4885

“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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