SCHEMBL12911490

SCHEMBL12911490

Clc1ccc(C#CC2=CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
HTR2C P28335 6/20 0.50
GRM5 P41594 1/20 0.49
HTR6 P50406 7/20 0.36
KCNH2 Q12809 1/20 0.35
HTR2A P28223 2/20 0.35
MAPT P10636 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35
HTR3A P46098 1/20 0.35
HTR2B P41595 1/20 0.34
FFAR1 O14842 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
Hydrochloric Acid SCHEMBL943751 0.98 HTR2C (0.53) SIGMAR1HTR2CGRM5HTR6KCNH2
SCHEMBL941156 0.83 GRM5 (0.49) SIGMAR1HTR2CGRM5HTR6KCNH2
SCHEMBL9091214 0.82 GRM5 (0.59) SIGMAR1HTR2CGRM5HTR6HTR2A
Hydrochloric Acid SCHEMBL19989681 0.78 GRM5 (0.55) SIGMAR1HTR2CGRM5
SCHEMBL31558720 0.72 GRM5 (0.46) SIGMAR1HTR2CGRM5
SCHEMBL20015814 0.69 LMNA (0.57) GRM5KCNH2MAPT
SCHEMBL719360 0.69 LMNA (0.57) GRM5KCNH2MAPT
Hydrochloric Acid SCHEMBL5090742 0.69 GRM5 (0.46) GRM5MAPT
SCHEMBL5985315 0.69
SCHEMBL531984 0.68 SIGMAR1 (1.00) SIGMAR1HTR2CHTR6HTR2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 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 (3 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SIGMAR1 4343/4885HTR2C 3938/4885GRM5 3668/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SIGMAR1 4343/4885HTR2C 3938/4885GRM5 3668/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 SIGMAR1 4343/4885HTR2C 3938/4885GRM5 3668/4885

“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.