SCHEMBL4191884

SCHEMBL4191884

CC(C)(C)OC(=O)N1C[C@H](O)[C@H]2NCC[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
AR P10275 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PREP P48147 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13944478 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL4050279 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL4215633 1.00 CHRM2 (0.42) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL30723481 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL30723452 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL30723502 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL22949990 0.84 CHRM2 (0.38) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL8350117 0.83 CHRM2 (0.40) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL23273865 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3ARHSD17B10
SCHEMBL22587052 0.80 CHRM2 (0.41) CHRM2CHRM1CHRM3ARHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles AMURA THERAPEUTICS LTD. (GB) 2009-01-01 US disclosed
US-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles AMURA THERAPEUTICS LTD. (GB) 2009-01-01 US disclosed
US-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles AMURA THERAPEUTICS LTD. (GB) 2009-01-01 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (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-20090005575-A1 Preparation of diazapentalene derivatives via epoxydation of dihydropyrroles PTGDR2, PTGER2, PTGDR CHRM2 532/4885CHRM1 343/4885CHRM3 683/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CHRM2 483/4885CHRM1 364/4885CHRM3 742/4885

“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.