SCHEMBL4550488

SCHEMBL4550488

COC(=O)C1CCC(C#C[Si](C)(C)C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.33
STS P08842 1/20 0.33
KMT2A Q03164 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL2729919 0.83 HSD17B10 (0.40) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL25867038 0.78 CHRM2 (0.38) UCHL1SMN1; SMN2RECQLHSD17B10HPGD
SCHEMBL3302201 0.76 TSHR (0.43) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL599498 0.76 TSHR (0.43) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL14555092 0.76 TSHR (0.43) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL3299171 0.76 TSHR (0.43) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL599499 0.76 TSHR (0.43) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL10163242 0.76 TSHR (0.43) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL3240371 0.76 SMN1; SMN2 (0.41) SMN1; SMN2RECQLHSD17B10HPGDSTS
SCHEMBL2680322 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RECQLHSD17B10HPGDSTS

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-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012061019-A2 TRICYCLIC MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-05-10 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 (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-20130210804-A1 TRICYCLIC MGLUR5 RECEPTOR MODULATORS GRM5, GRM1, GRM2 UCHL1 3142/4885SMN1; SMN2 1501/4885RECQL 3717/4885

“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.