SCHEMBL20534016

SCHEMBL20534016

COC(=O)c1ccnc(N2CC3CCCC3C2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.48
ACACB O00763 4/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
DYRK1A Q13627 1/20 0.45
RBP4 P02753 3/20 0.43
HCRTR1 O43613 9/20 0.42
HCRTR2 O43614 9/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CD38 P28907 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL20745082 0.86 CRBN (0.47) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL12525385 0.84 CRBN (0.50) CRBNACACBNR1H2NR1H3RBP4
SCHEMBL17515578 0.84 HCRTR2 (0.47) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL17502956 0.83 RBP4 (0.56) ACACBDYRK1ARBP4HCRTR1HCRTR2
SCHEMBL17465981 0.81 RBP4 (0.54) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL28059117 0.81 CRBN (0.55) CRBNACACBNR1H2NR1H3RBP4
SCHEMBL20745795 0.81 CRBN (0.47) CRBNACACBNR1H2NR1H3RBP4
SCHEMBL22320484 0.79 CRBN (0.46) CRBNACACBNR1H2NR1H3RBP4
SCHEMBL25256821 0.78 KDM4E (0.57) CRBNRBP4CYP2C19
SCHEMBL30339119 0.78 KDM4E (0.57) CRBNRBP4CYP2C19

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-10787453-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-29 US disclosed
US-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-10-18 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-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS CRBN 4405/4885ACACB 4528/4885NR1H2 2078/4885
US-10787453-B2 Octahydropyrrolopyrroles their preparation and use QDPR, DPYD, DHPS CRBN 4405/4885ACACB 4528/4885NR1H2 2078/4885

“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.