SCHEMBL680016

SCHEMBL680016

CCOC(=O)c1c2c(nn1C)C1CCC2CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
FDFT1 P37268 1/20 0.36
DHODH Q02127 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
MAPT P10636 2/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL679341 0.92 KMT2A (0.37) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL2362313 0.84 TSHR (0.40) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL23122279 0.83 TSHR (0.39) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL23122052 0.82 LMNA (0.44) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL23122259 0.81 KMT2A (0.41) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL2363406 0.81 TSHR (0.39) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL27006422 0.79 ALDH1A1 (0.39) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL27134289 0.79 ALDH1A1 (0.39) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL1412583 0.78 TSHR (0.41) TSHRALDH1A1GAAHSD17B10HTT
SCHEMBL27006519 0.76 PDE4B (0.39) TSHRALDH1A1GAAHSD17B10HTT

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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 US disclosed
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 TSHR 3794/4885ALDH1A1 668/4885GAA 116/4885

“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.