SCHEMBL12911533

SCHEMBL12911533

Clc1ccc(-c2ccc(N3CCNCC3)nc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.58
▸ KCNH2 Q12809 1/20 0.53
▸ CACNA1C Q13936 1/20 0.53
▸ ASIC3 Q9UHC3 1/20 0.53
▸ CNR2 P34972 5/20 0.52
▸ HTR3A P46098 4/20 0.52
▸ HTR1A P08908 2/20 0.52
▸ HTR7 P34969 2/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ HTR6 P50406 2/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR5A P47898 1/20 0.52
▸ HTR3E A5X5Y0 2/20 0.51
▸ HTR3B O95264 2/20 0.51
▸ HTR3D Q70Z44 2/20 0.51
▸ HTR3C Q8WXA8 2/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ FAAH O00519 1/20 0.51
▸ BPTF Q12830 1/20 0.50

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 SCHEMBL6786143 0.98 GPR119 (0.56) GPR119KCNH2CACNA1CASIC3CNR2
Hydrochloric Acid SCHEMBL940785 0.98 GPR119 (0.56) GPR119KCNH2CACNA1CASIC3CNR2
SCHEMBL194226 0.86 HTR3A (0.57) GPR119CNR2HTR3AHTR1AHTR7
SCHEMBL3442195 0.85 GPR119 (0.59) GPR119KCNH2CACNA1CASIC3HTR3A
Hydrochloric Acid SCHEMBL21521416 0.85 HTR3A (0.55) GPR119CNR2HTR3AHTR1AHTR7
SCHEMBL12911528 0.84 GPR119 (0.58) GPR119KCNH2CACNA1CASIC3HTR3A
SCHEMBL5235836 0.83 CNR2 (0.63) CNR2MGLL
Hydrochloric Acid SCHEMBL942193 0.83 GPR119 (0.56) GPR119KCNH2CACNA1CASIC3HTR3A
Hydrochloric Acid SCHEMBL6786442 0.83 GPR119 (0.56) GPR119KCNH2CACNA1CASIC3HTR3A
SCHEMBL6929138 0.82 FAAH (0.46) GPR119KCNH2CACNA1CASIC3CNR2

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 12 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-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-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-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-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-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
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 GPR119 4482/4885KCNH2 2535/4885CACNA1C 3302/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GPR119 4482/4885KCNH2 2535/4885CACNA1C 3302/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GPR119 4482/4885KCNH2 2535/4885CACNA1C 3302/4885

“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.

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