SCHEMBL16004567

SCHEMBL16004567

C=CC1C[C@H](C)[C@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PREP P48147 4/20 0.36
NR1H2 P55055 1/20 0.36
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
HSD11B1 P28845 1/20 0.31
RECQL P46063 1/20 0.31
EPHX1 P07099 1/20 0.31
CTSK P43235 1/20 0.30
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30
TGM1 P22735 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
SCHEMBL19296178 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL14899628 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15996597 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL25510610 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL14229939 0.77 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL16004571 0.77 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL15580420 0.77 CHRM2 (0.45) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL23153200 0.74 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL3442140 0.73 CHRM2 (0.47) CHRM2CHRM1CHRM3PREPNR1H2
SCHEMBL17598292 0.73 CHRM2 (0.47) CHRM2CHRM1CHRM3PREPNR1H2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724682-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 US disclosed
US-9487472-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-08 US disclosed
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD (US) 2016-01-07 US disclosed
WO-2014134141-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-04 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 (2 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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH CHRM2 3282/4885CHRM1 1776/4885CHRM3 3585/4885
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH CHRM2 3282/4885CHRM1 1776/4885CHRM3 3585/4885

“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.