SCHEMBL749115

SCHEMBL749115

CCOP(=O)(O)[C@@]1(N)C[C@H]1CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 2/20 0.33
GRM4 Q14833 5/20 0.33
GRM8 O00222 3/20 0.33
GRM6 O15303 2/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL731152 1.00 MEN1 (0.34) MEN1KMT2APPARDGRM4GRM8
SCHEMBL751482 0.81 MEN1 (0.36) MEN1KMT2ATSHRTP53TDP1
SCHEMBL733018 0.81 MEN1 (0.36) MEN1KMT2ATSHRTP53TDP1
SCHEMBL3513000 0.79 GRM4 (0.37) GRM4GRM8GRM6TSHR
SCHEMBL751484 0.77 GRM4 (0.36) GRM4GRM8GRM6
SCHEMBL731005 0.77 GRM4 (0.36) GRM4GRM8GRM6
SCHEMBL751704 0.76 GRM4 (0.35) GRM4GRM8GRM6
SCHEMBL731196 0.76 GRM4 (0.35) GRM4GRM8GRM6
SCHEMBL14008504 0.75 MEN1 (0.32) MEN1KMT2APPARD
SCHEMBL752528 0.75 MEN1 (0.32) MEN1KMT2APPARD

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-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8138164-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-03-20 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100298210-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-25 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-20100317623-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MEN1 4761/4885KMT2A 3629/4885PPARD 3119/4885
US-20100298210-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MEN1 4767/4885KMT2A 3688/4885PPARD 2925/4885

“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.