SCHEMBL271981

SCHEMBL271981

CCCCCCCCCCCCC(=O)NC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
TRPV1 Q8NER1 6/20 0.50
CNR1 P21554 5/20 0.50
CNR2 P34972 5/20 0.50
EPHX2 P34913 1/20 0.48
NAAA Q02083 3/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL23793654 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL9403437 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL4408312 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL8906309 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL21236012 0.98 GNAI3 (0.50) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL23793834 0.94 GNAI3 (0.44) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL316348 0.92 SMN1; SMN2 (0.48) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL10495774 0.90 HMGCR (0.50) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL9403390 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL10719860 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1

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-8134009-B2 Process for the oxidation of secondary amines into the corresponding nitroxides BASF SE (DE) 2012-03-13 US disclosed
US-20100305322-A1 Process for the Oxidation of Secondary Amines into the Corresponding Nitroxides CIBA SPECIALTY CHEMICALS CORPORATION 2010-12-02 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-20100305322-A1 Process for the Oxidation of Secondary Amines into the Corresponding Nitroxides NOS2, NOS1, NOS3 GNAI3 2968/4885GNAO1 686/4885GNAI1 2754/4885

“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.